 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer04_STD_B3LYPDBJ_augccpVDZ.in
 Output=21_phenylethanol_conformer04_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
            -H     0
            S    4   1.00
                  1.301000D+01           1.968500D-02
                  1.962000D+00           1.379770D-01
                  4.446000D-01           4.781480D-01
                  1.220000D-01           5.012400D-01
            S    1   1.00
                  1.220000D-01           1.000000D+00
            S    1   1.00
                  0.0297400              1.0000000
            P    1   1.00
                  7.270000D-01           1.0000000
            P    1   1.00
                  0.1410000              1.0000000
            ****
            -He     0
            S    4   1.00
                  3.836000D+01           2.380900D-02
                  5.770000D+00           1.548910D-01
                  1.240000D+00           4.699870D-01
                  2.976000D-01           5.130270D-01
            S    1   1.00
                  2.976000D-01           1.000000D+00
            S    1   1.00
                  0.0725500              1.0000000
            P    1   1.00
                  1.275000D+00           1.0000000
            P    1   1.00
                  0.2473000              1.0000000
            ****
            -Li     0
            S    9   1.00
                  1.469000D+03           7.660000D-04
                  2.205000D+02           5.892000D-03
                  5.026000D+01           2.967100D-02
                  1.424000D+01           1.091800D-01
                  4.581000D+00           2.827890D-01
                  1.580000D+00           4.531230D-01
                  5.640000D-01           2.747740D-01
                  7.345000D-02           9.751000D-03
                  2.805000D-02          -3.180000D-03
            S    9   1.00
                  1.469000D+03          -1.200000D-04
                  2.205000D+02          -9.230000D-04
                  5.026000D+01          -4.689000D-03
                  1.424000D+01          -1.768200D-02
                  4.581000D+00          -4.890200D-02
                  1.580000D+00          -9.600900D-02
                  5.640000D-01          -1.363800D-01
                  7.345000D-02           5.751020D-01
                  2.805000D-02           5.176610D-01
            S    1   1.00
                  2.805000D-02           1.000000D+00
            S    1   1.00
                  8.600000D-03           1.000000D+00
            P    4   1.00
                  1.534000D+00           2.278400D-02
                  2.749000D-01           1.391070D-01
                  7.362000D-02           5.003750D-01
                  2.403000D-02           5.084740D-01
            P    1   1.00
                  2.403000D-02           1.000000D+00
            P    1   1.00
                  5.800000D-03           1.000000D+00
            D    1   1.00
                  1.144000D-01           1.0000000
            D    1   1.00
                  7.330000D-02           1.000000D+00
            ****
            -Be     0
            S    9   1.00
                  2.940000D+03           6.800000D-04
                  4.412000D+02           5.236000D-03
                  1.005000D+02           2.660600D-02
                  2.843000D+01           9.999300D-02
                  9.169000D+00           2.697020D-01
                  3.196000D+00           4.514690D-01
                  1.159000D+00           2.950740D-01
                  1.811000D-01           1.258700D-02
                  5.890000D-02          -3.756000D-03
            S    9   1.00
                  2.940000D+03          -1.230000D-04
                  4.412000D+02          -9.660000D-04
                  1.005000D+02          -4.831000D-03
                  2.843000D+01          -1.931400D-02
                  9.169000D+00          -5.328000D-02
                  3.196000D+00          -1.207230D-01
                  1.159000D+00          -1.334350D-01
                  1.811000D-01           5.307670D-01
                  5.890000D-02           5.801170D-01
            S    1   1.00
                  5.890000D-02           1.000000D+00
            S    1   1.00
                  1.790000D-02           1.000000D+00
            P    4   1.00
                  3.619000D+00           2.911100D-02
                  7.110000D-01           1.693650D-01
                  1.951000D-01           5.134580D-01
                  6.018000D-02           4.793380D-01
            P    1   1.00
                  6.018000D-02           1.000000D+00
            P    1   1.00
                  1.110000D-02           1.000000D+00
            D    1   1.00
                  2.354000D-01           1.0000000
            D    1   1.00
                  7.220000D-02           1.000000D+00
            ****
            -B     0
            S    9   1.00
                  4.570000D+03           6.960000D-04
                  6.859000D+02           5.353000D-03
                  1.565000D+02           2.713400D-02
                  4.447000D+01           1.013800D-01
                  1.448000D+01           2.720550D-01
                  5.131000D+00           4.484030D-01
                  1.898000D+00           2.901230D-01
                  3.329000D-01           1.432200D-02
                  1.043000D-01          -3.486000D-03
            S    9   1.00
                  4.570000D+03          -1.390000D-04
                  6.859000D+02          -1.097000D-03
                  1.565000D+02          -5.444000D-03
                  4.447000D+01          -2.191600D-02
                  1.448000D+01          -5.975100D-02
                  5.131000D+00          -1.387320D-01
                  1.898000D+00          -1.314820D-01
                  3.329000D-01           5.395260D-01
                  1.043000D-01           5.807740D-01
            S    1   1.00
                  1.043000D-01           1.000000D+00
            S    1   1.00
                  0.0310500              1.0000000
            P    4   1.00
                  6.001000D+00           3.548100D-02
                  1.241000D+00           1.980720D-01
                  3.364000D-01           5.052300D-01
                  9.538000D-02           4.794990D-01
            P    1   1.00
                  9.538000D-02           1.000000D+00
            P    1   1.00
                  0.0237800              1.0000000
            D    1   1.00
                  3.430000D-01           1.0000000
            D    1   1.00
                  0.0904000              1.0000000
            ****
            -C     0
            S    9   1.00
                  6.665000D+03           6.920000D-04
                  1.000000D+03           5.329000D-03
                  2.280000D+02           2.707700D-02
                  6.471000D+01           1.017180D-01
                  2.106000D+01           2.747400D-01
                  7.495000D+00           4.485640D-01
                  2.797000D+00           2.850740D-01
                  5.215000D-01           1.520400D-02
                  1.596000D-01          -3.191000D-03
            S    9   1.00
                  6.665000D+03          -1.460000D-04
                  1.000000D+03          -1.154000D-03
                  2.280000D+02          -5.725000D-03
                  6.471000D+01          -2.331200D-02
                  2.106000D+01          -6.395500D-02
                  7.495000D+00          -1.499810D-01
                  2.797000D+00          -1.272620D-01
                  5.215000D-01           5.445290D-01
                  1.596000D-01           5.804960D-01
            S    1   1.00
                  1.596000D-01           1.000000D+00
            S    1   1.00
                  0.0469000              1.0000000
            P    4   1.00
                  9.439000D+00           3.810900D-02
                  2.002000D+00           2.094800D-01
                  5.456000D-01           5.085570D-01
                  1.517000D-01           4.688420D-01
            P    1   1.00
                  1.517000D-01           1.000000D+00
            P    1   1.00
                  0.0404100              1.0000000
            D    1   1.00
                  5.500000D-01           1.0000000
            D    1   1.00
                  0.1510000              1.0000000
            ****
            -N     0
            S    9   1.00
                  9.046000D+03           7.000000D-04
                  1.357000D+03           5.389000D-03
                  3.093000D+02           2.740600D-02
                  8.773000D+01           1.032070D-01
                  2.856000D+01           2.787230D-01
                  1.021000D+01           4.485400D-01
                  3.838000D+00           2.782380D-01
                  7.466000D-01           1.544000D-02
                  2.248000D-01          -2.864000D-03
            S    9   1.00
                  9.046000D+03          -1.530000D-04
                  1.357000D+03          -1.208000D-03
                  3.093000D+02          -5.992000D-03
                  8.773000D+01          -2.454400D-02
                  2.856000D+01          -6.745900D-02
                  1.021000D+01          -1.580780D-01
                  3.838000D+00          -1.218310D-01
                  7.466000D-01           5.490030D-01
                  2.248000D-01           5.788150D-01
            S    1   1.00
                  2.248000D-01           1.000000D+00
            S    1   1.00
                  0.0612400              1.0000000
            P    4   1.00
                  1.355000D+01           3.991900D-02
                  2.917000D+00           2.171690D-01
                  7.973000D-01           5.103190D-01
                  2.185000D-01           4.622140D-01
            P    1   1.00
                  2.185000D-01           1.000000D+00
            P    1   1.00
                  0.0561100              1.0000000
            D    1   1.00
                  8.170000D-01           1.0000000
            D    1   1.00
                  0.2300000              1.0000000
            ****
            -O     0
            S    9   1.00
                  1.172000D+04           7.100000D-04
                  1.759000D+03           5.470000D-03
                  4.008000D+02           2.783700D-02
                  1.137000D+02           1.048000D-01
                  3.703000D+01           2.830620D-01
                  1.327000D+01           4.487190D-01
                  5.025000D+00           2.709520D-01
                  1.013000D+00           1.545800D-02
                  3.023000D-01          -2.585000D-03
            S    9   1.00
                  1.172000D+04          -1.600000D-04
                  1.759000D+03          -1.263000D-03
                  4.008000D+02          -6.267000D-03
                  1.137000D+02          -2.571600D-02
                  3.703000D+01          -7.092400D-02
                  1.327000D+01          -1.654110D-01
                  5.025000D+00          -1.169550D-01
                  1.013000D+00           5.573680D-01
                  3.023000D-01           5.727590D-01
            S    1   1.00
                  3.023000D-01           1.000000D+00
            S    1   1.00
                  0.0789600              1.0000000
            P    4   1.00
                  1.770000D+01           4.301800D-02
                  3.854000D+00           2.289130D-01
                  1.046000D+00           5.087280D-01
                  2.753000D-01           4.605310D-01
            P    1   1.00
                  2.753000D-01           1.000000D+00
            P    1   1.00
                  0.0685600              1.0000000
            D    1   1.00
                  1.185000D+00           1.0000000
            D    1   1.00
                  0.3320000              1.0000000
            ****
            -F     0
            S    9   1.00
                  1.471000D+04           7.210000D-04
                  2.207000D+03           5.553000D-03
                  5.028000D+02           2.826700D-02
                  1.426000D+02           1.064440D-01
                  4.647000D+01           2.868140D-01
                  1.670000D+01           4.486410D-01
                  6.356000D+00           2.647610D-01
                  1.316000D+00           1.533300D-02
                  3.897000D-01          -2.332000D-03
            S    9   1.00
                  1.471000D+04          -1.650000D-04
                  2.207000D+03          -1.308000D-03
                  5.028000D+02          -6.495000D-03
                  1.426000D+02          -2.669100D-02
                  4.647000D+01          -7.369000D-02
                  1.670000D+01          -1.707760D-01
                  6.356000D+00          -1.123270D-01
                  1.316000D+00           5.628140D-01
                  3.897000D-01           5.687780D-01
            S    1   1.00
                  3.897000D-01           1.000000D+00
            S    1   1.00
                  0.0986300              1.0000000
            P    4   1.00
                  2.267000D+01           4.487800D-02
                  4.977000D+00           2.357180D-01
                  1.347000D+00           5.085210D-01
                  3.471000D-01           4.581200D-01
            P    1   1.00
                  3.471000D-01           1.000000D+00
            P    1   1.00
                  0.0850200              1.0000000
            D    1   1.00
                  1.640000D+00           1.0000000
            D    1   1.00
                  0.4640000              1.0000000
            ****
            -Ne     0
            S    9   1.00
                  1.788000D+04           7.380000D-04
                  2.683000D+03           5.677000D-03
                  6.115000D+02           2.888300D-02
                  1.735000D+02           1.085400D-01
                  5.664000D+01           2.909070D-01
                  2.042000D+01           4.483240D-01
                  7.810000D+00           2.580260D-01
                  1.653000D+00           1.506300D-02
                  4.869000D-01          -2.100000D-03
            S    9   1.00
                  1.788000D+04          -1.720000D-04
                  2.683000D+03          -1.357000D-03
                  6.115000D+02          -6.737000D-03
                  1.735000D+02          -2.766300D-02
                  5.664000D+01          -7.620800D-02
                  2.042000D+01          -1.752270D-01
                  7.810000D+00          -1.070380D-01
                  1.653000D+00           5.670500D-01
                  4.869000D-01           5.652160D-01
            S    1   1.00
                  4.869000D-01           1.000000D+00
            S    1   1.00
                  0.1230000              1.0000000
            P    4   1.00
                  2.839000D+01           4.608700D-02
                  6.270000D+00           2.401810D-01
                  1.695000D+00           5.087440D-01
                  4.317000D-01           4.556600D-01
            P    1   1.00
                  4.317000D-01           1.000000D+00
            P    1   1.00
                  0.1064000              1.0000000
            D    1   1.00
                  2.202000D+00           1.0000000
            D    1   1.00
                  0.6310000              1.0000000
            ****
            -Na     0
            S    12   1.00
                  3.170000D+04           4.588780D-04
                  4.755000D+03           3.550700D-03
                  1.082000D+03           1.826180D-02
                  3.064000D+02           7.166500D-02
                  9.953000D+01           2.123460D-01
                  3.542000D+01           4.162030D-01
                  1.330000D+01           3.730200D-01
                  4.392000D+00           6.250540D-02
                  1.676000D+00          -6.245320D-03
                  5.889000D-01           2.433740D-03
                  5.640000D-02          -4.423810D-04
                  2.307000D-02           2.419240D-04
            S    12   1.00
                  3.170000D+04          -1.121620D-04
                  4.755000D+03          -8.685120D-04
                  1.082000D+03          -4.513300D-03
                  3.064000D+02          -1.814360D-02
                  9.953000D+01          -5.807990D-02
                  3.542000D+01          -1.376530D-01
                  1.330000D+01          -1.939080D-01
                  4.392000D+00           8.580090D-02
                  1.676000D+00           6.044190D-01
                  5.889000D-01           4.417190D-01
                  5.640000D-02           1.305470D-02
                  2.307000D-02          -5.680850D-03
            S    12   1.00
                  3.170000D+04           1.701600D-05
                  4.755000D+03           1.306930D-04
                  1.082000D+03           6.877840D-04
                  3.064000D+02           2.723590D-03
                  9.953000D+01           8.955290D-03
                  3.542000D+01           2.078320D-02
                  1.330000D+01           3.193800D-02
                  4.392000D+00          -1.913680D-02
                  1.676000D+00          -1.025950D-01
                  5.889000D-01          -1.989450D-01
                  5.640000D-02           6.559520D-01
                  2.307000D-02           4.311530D-01
            S    1   1.00
                  2.307000D-02           1.000000D+00
            S    1   1.00
                  7.200000D-03           1.000000D+00
            P    8   1.00
                  1.381000D+02           5.796410D-03
                  3.224000D+01           4.157560D-02
                  9.985000D+00           1.628730D-01
                  3.484000D+00           3.594010D-01
                  1.231000D+00           4.499880D-01
                  4.177000D-01           2.275070D-01
                  6.513000D-02           8.082470D-03
                  2.053000D-02          -1.962930D-03
            P    8   1.00
                  1.381000D+02          -5.815310D-04
                  3.224000D+01          -4.073060D-03
                  9.985000D+00          -1.679370D-02
                  3.484000D+00          -3.532680D-02
                  1.231000D+00          -5.219710D-02
                  4.177000D-01          -1.683590D-02
                  6.513000D-02           4.346130D-01
                  2.053000D-02           6.582180D-01
            P    1   1.00
                  2.053000D-02           1.000000D+00
            P    1   1.00
                  5.700000D-03           1.000000D+00
            D    1   1.00
                  9.280000D-02           1.0000000
            D    1   1.00
                  4.800000D-02           1.000000D+00
            ****
            -Mg     0
            S    12   1.00
                  4.739000D+04           3.460230D-04
                  7.108000D+03           2.680770D-03
                  1.618000D+03           1.383670D-02
                  4.584000D+02           5.517670D-02
                  1.493000D+02           1.696600D-01
                  5.359000D+01           3.647030D-01
                  2.070000D+01           4.068560D-01
                  8.384000D+00           1.350890D-01
                  2.542000D+00           4.908840D-03
                  8.787000D-01           2.864600D-04
                  1.077000D-01           2.645900D-05
                  3.999000D-02          -1.127080D-05
            S    12   1.00
                  4.739000D+04          -8.778390D-05
                  7.108000D+03          -6.747250D-04
                  1.618000D+03          -3.556030D-03
                  4.584000D+02          -1.421540D-02
                  1.493000D+02          -4.767480D-02
                  5.359000D+01          -1.148920D-01
                  2.070000D+01          -2.006760D-01
                  8.384000D+00          -3.412240D-02
                  2.542000D+00           5.704540D-01
                  8.787000D-01           5.423090D-01
                  1.077000D-01           2.181280D-02
                  3.999000D-02          -8.277000D-03
            S    12   1.00
                  4.739000D+04           1.696280D-05
                  7.108000D+03           1.298650D-04
                  1.618000D+03           6.888310D-04
                  4.584000D+02           2.735330D-03
                  1.493000D+02           9.312240D-03
                  5.359000D+01           2.232650D-02
                  2.070000D+01           4.111950D-02
                  8.384000D+00           5.456420D-03
                  2.542000D+00          -1.340120D-01
                  8.787000D-01          -2.561760D-01
                  1.077000D-01           6.058560D-01
                  3.999000D-02           5.094460D-01
            S    1   1.00
                  3.999000D-02           1.000000D+00
            S    1   1.00
                  1.420000D-02           1.000000D+00
            P    8   1.00
                  1.799000D+02           5.381610D-03
                  4.214000D+01           3.924180D-02
                  1.313000D+01           1.574450D-01
                  4.628000D+00           3.585350D-01
                  1.670000D+00           4.572260D-01
                  5.857000D-01           2.159180D-01
                  1.311000D-01           6.649480D-03
                  4.112000D-02          -1.253040D-04
            P    8   1.00
                  1.799000D+02          -8.659480D-04
                  4.214000D+01          -6.159780D-03
                  1.313000D+01          -2.615190D-02
                  4.628000D+00          -5.706470D-02
                  1.670000D+00          -8.739060D-02
                  5.857000D-01          -1.229900D-02
                  1.311000D-01           5.020850D-01
                  4.112000D-02           5.972450D-01
            P    1   1.00
                  4.112000D-02           1.000000D+00
            P    1   1.00
                  1.050000D-02           1.000000D+00
            D    1   1.00
                  1.932000D-01           1.0000000
            D    1   1.00
                  6.050000D-02           1.000000D+00
            ****
            -Al     0
            S    12   1.00
                  6.415000D+04           2.902500D-04
                  9.617000D+03           2.250640D-03
                  2.189000D+03           1.164590D-02
                  6.205000D+02           4.673770D-02
                  2.027000D+02           1.462990D-01
                  7.315000D+01           3.302830D-01
                  2.855000D+01           4.158610D-01
                  1.177000D+01           1.892530D-01
                  3.300000D+00           1.158890D-02
                  1.173000D+00          -1.283850D-03
                  1.752000D-01           4.258830D-04
                  6.473000D-02          -1.992800D-04
            S    12   1.00
                  6.415000D+04          -7.580480D-05
                  9.617000D+03          -5.817910D-04
                  2.189000D+03          -3.081130D-03
                  6.205000D+02          -1.231120D-02
                  2.027000D+02          -4.197810D-02
                  7.315000D+01          -1.033710D-01
                  2.855000D+01          -1.963080D-01
                  1.177000D+01          -8.300020D-02
                  3.300000D+00           5.410400D-01
                  1.173000D+00           5.787960D-01
                  1.752000D-01           2.881470D-02
                  6.473000D-02          -9.537950D-03
            S    12   1.00
                  6.415000D+04           1.750780D-05
                  9.617000D+03           1.342080D-04
                  2.189000D+03           7.124420D-04
                  6.205000D+02           2.843300D-03
                  2.027000D+02           9.768420D-03
                  7.315000D+01           2.418500D-02
                  2.855000D+01           4.749930D-02
                  1.177000D+01           2.036210D-02
                  3.300000D+00          -1.587880D-01
                  1.173000D+00          -3.116940D-01
                  1.752000D-01           6.201470D-01
                  6.473000D-02           5.209430D-01
            S    1   1.00
                  6.473000D-02           1.000000D+00
            S    1   1.00
                  0.0231000              1.0000000
            P    8   1.00
                  2.588000D+02           4.068470D-03
                  6.089000D+01           3.068150D-02
                  1.914000D+01           1.291490D-01
                  6.881000D+00           3.208310D-01
                  2.574000D+00           4.538150D-01
                  9.572000D-01           2.750660D-01
                  2.099000D-01           1.908070D-02
                  5.986000D-02          -3.128480D-03
            P    8   1.00
                  2.588000D+02          -7.480530D-04
                  6.089000D+01          -5.457960D-03
                  1.914000D+01          -2.453710D-02
                  6.881000D+00          -5.821380D-02
                  2.574000D+00          -9.837560D-02
                  9.572000D-01          -2.600640D-02
                  2.099000D-01           4.640200D-01
                  5.986000D-02           6.488700D-01
            P    1   1.00
                  5.986000D-02           1.000000D+00
            P    1   1.00
                  0.0153000              1.0000000
            D    1   1.00
                  1.890000D-01           1.0000000
            D    1   1.00
                  0.0535000              1.0000000
            ****
            -Si     0
            S    12   1.00
                  7.886000D+04           2.704430D-04
                  1.182000D+04           2.097170D-03
                  2.692000D+03           1.085060D-02
                  7.634000D+02           4.367540D-02
                  2.496000D+02           1.376530D-01
                  9.028000D+01           3.166440D-01
                  3.529000D+01           4.185810D-01
                  1.451000D+01           2.102120D-01
                  4.053000D+00           1.449520D-02
                  1.482000D+00          -2.035900D-03
                  2.517000D-01           6.241860D-04
                  9.243000D-02          -2.828720D-04
            S    12   1.00
                  7.886000D+04          -7.231770D-05
                  1.182000D+04          -5.551160D-04
                  2.692000D+03          -2.938050D-03
                  7.634000D+02          -1.176870D-02
                  2.496000D+02          -4.029070D-02
                  9.028000D+01          -1.006090D-01
                  3.529000D+01          -1.965280D-01
                  1.451000D+01          -1.023820D-01
                  4.053000D+00           5.271900D-01
                  1.482000D+00           5.932510D-01
                  2.517000D-01           3.326520D-02
                  9.243000D-02          -9.736620D-03
            S    12   1.00
                  7.886000D+04           1.851130D-05
                  1.182000D+04           1.422360D-04
                  2.692000D+03           7.521850D-04
                  7.634000D+02           3.022790D-03
                  2.496000D+02           1.036770D-02
                  9.028000D+01           2.625630D-02
                  3.529000D+01           5.239890D-02
                  1.451000D+01           2.909590D-02
                  4.053000D+00          -1.780030D-01
                  1.482000D+00          -3.468740D-01
                  2.517000D-01           6.230200D-01
                  9.243000D-02           5.377120D-01
            S    1   1.00
                  9.243000D-02           1.000000D+00
            S    1   1.00
                  0.0332000              1.0000000
            P    8   1.00
                  3.159000D+02           3.926560D-03
                  7.442000D+01           2.988110D-02
                  2.348000D+01           1.272120D-01
                  8.488000D+00           3.209430D-01
                  3.217000D+00           4.554290D-01
                  1.229000D+00           2.685630D-01
                  2.964000D-01           1.883360D-02
                  8.768000D-02          -2.624310D-03
            P    8   1.00
                  3.159000D+02          -8.583020D-04
                  7.442000D+01          -6.303280D-03
                  2.348000D+01          -2.882550D-02
                  8.488000D+00          -6.945600D-02
                  3.217000D+00          -1.194930D-01
                  1.229000D+00          -1.995810D-02
                  2.964000D-01           5.102680D-01
                  8.768000D-02           6.003820D-01
            P    1   1.00
                  8.768000D-02           1.000000D+00
            P    1   1.00
                  0.0250000              1.0000000
            D    1   1.00
                  2.750000D-01           1.0000000
            D    1   1.00
                  0.0823000              1.0000000
            ****
            -P     0
            S    12   1.00
                  9.484000D+04           2.555090D-04
                  1.422000D+04           1.981930D-03
                  3.236000D+03           1.027600D-02
                  9.171000D+02           4.148230D-02
                  2.995000D+02           1.319840D-01
                  1.081000D+02           3.086620D-01
                  4.218000D+01           4.206470D-01
                  1.728000D+01           2.228780D-01
                  4.858000D+00           1.640350D-02
                  1.818000D+00          -2.542550D-03
                  3.372000D-01           7.480500D-04
                  1.232000D-01          -3.309630D-04
            S    12   1.00
                  9.484000D+04          -6.969390D-05
                  1.422000D+04          -5.352660D-04
                  3.236000D+03          -2.837090D-03
                  9.171000D+02          -1.139830D-02
                  2.995000D+02          -3.929290D-02
                  1.081000D+02          -9.963640D-02
                  4.218000D+01          -1.979830D-01
                  1.728000D+01          -1.148600D-01
                  4.858000D+00           5.185950D-01
                  1.818000D+00           6.018470D-01
                  3.372000D-01           3.686120D-02
                  1.232000D-01          -9.707590D-03
            S    12   1.00
                  9.484000D+04           1.911990D-05
                  1.422000D+04           1.472230D-04
                  3.236000D+03           7.779120D-04
                  9.171000D+02           3.145460D-03
                  2.995000D+02           1.082000D-02
                  1.081000D+02           2.799570D-02
                  4.218000D+01           5.639780D-02
                  1.728000D+01           3.581900D-02
                  4.858000D+00          -1.933870D-01
                  1.818000D+00          -3.720970D-01
                  3.372000D-01           6.242460D-01
                  1.232000D-01           5.517210D-01
            S    1   1.00
                  1.232000D-01           1.000000D+00
            S    1   1.00
                  0.0417000              1.0000000
            P    8   1.00
                  3.705000D+02           3.950050D-03
                  8.733000D+01           3.024920D-02
                  2.759000D+01           1.295540D-01
                  1.000000D+01           3.275940D-01
                  3.825000D+00           4.569920D-01
                  1.494000D+00           2.530860D-01
                  3.921000D-01           1.687980D-02
                  1.186000D-01          -2.070930D-03
            P    8   1.00
                  3.705000D+02          -9.598320D-04
                  8.733000D+01          -7.111770D-03
                  2.759000D+01          -3.271220D-02
                  1.000000D+01          -7.957840D-02
                  3.825000D+00          -1.350160D-01
                  1.494000D+00          -9.105850D-03
                  3.921000D-01           5.378020D-01
                  1.186000D-01           5.690660D-01
            P    1   1.00
                  1.186000D-01           1.000000D+00
            P    1   1.00
                  0.0343000              1.0000000
            D    1   1.00
                  3.730000D-01           1.0000000
            D    1   1.00
                  0.1130000              1.0000000
            ****
            -S     0
            S    12   1.00
                  1.108000D+05           2.476350D-04
                  1.661000D+04           1.920260D-03
                  3.781000D+03           9.961920D-03
                  1.071000D+03           4.029750D-02
                  3.498000D+02           1.286040D-01
                  1.263000D+02           3.034800D-01
                  4.926000D+01           4.214320D-01
                  2.016000D+01           2.307810D-01
                  5.720000D+00           1.789710D-02
                  2.182000D+00          -2.975160D-03
                  4.327000D-01           8.495220D-04
                  1.570000D-01          -3.679360D-04
            S    12   1.00
                  1.108000D+05          -6.870390D-05
                  1.661000D+04          -5.276810D-04
                  3.781000D+03          -2.796710D-03
                  1.071000D+03          -1.126510D-02
                  3.498000D+02          -3.888340D-02
                  1.263000D+02          -9.950250D-02
                  4.926000D+01          -1.997400D-01
                  2.016000D+01          -1.233600D-01
                  5.720000D+00           5.131940D-01
                  2.182000D+00           6.071200D-01
                  4.327000D-01           3.967530D-02
                  1.570000D-01          -9.468640D-03
            S    12   1.00
                  1.108000D+05           1.990770D-05
                  1.661000D+04           1.534830D-04
                  3.781000D+03           8.095030D-04
                  1.071000D+03           3.289740D-03
                  3.498000D+02           1.129670D-02
                  1.263000D+02           2.963850D-02
                  4.926000D+01           5.998510D-02
                  2.016000D+01           4.132480D-02
                  5.720000D+00          -2.074740D-01
                  2.182000D+00          -3.928890D-01
                  4.327000D-01           6.328400D-01
                  1.570000D-01           5.569240D-01
            S    1   1.00
                  1.570000D-01           1.000000D+00
            S    1   1.00
                  0.0507000              1.0000000
            P    8   1.00
                  3.997000D+02           4.475410D-03
                  9.419000D+01           3.417080D-02
                  2.975000D+01           1.442500D-01
                  1.077000D+01           3.539280D-01
                  4.119000D+00           4.590850D-01
                  1.625000D+00           2.063830D-01
                  4.726000D-01           1.021410D-02
                  1.407000D-01          -6.031220D-05
            P    8   1.00
                  3.997000D+02          -1.162510D-03
                  9.419000D+01          -8.656640D-03
                  2.975000D+01          -3.908860D-02
                  1.077000D+01          -9.346250D-02
                  4.119000D+00          -1.479940D-01
                  1.625000D+00           3.019040D-02
                  4.726000D-01           5.615730D-01
                  1.407000D-01           5.347760D-01
            P    1   1.00
                  1.407000D-01           1.000000D+00
            P    1   1.00
                  0.0399000              1.0000000
            D    1   1.00
                  4.790000D-01           1.0000000
            D    1   1.00
                  0.1520000              1.0000000
            ****
            -Cl     0
            S    12   1.00
                  1.279000D+05           2.411530D-04
                  1.917000D+04           1.870950D-03
                  4.363000D+03           9.708270D-03
                  1.236000D+03           3.931530D-02
                  4.036000D+02           1.259320D-01
                  1.457000D+02           2.993410D-01
                  5.681000D+01           4.218860D-01
                  2.323000D+01           2.372010D-01
                  6.644000D+00           1.915310D-02
                  2.575000D+00          -3.347920D-03
                  5.371000D-01           9.298830D-04
                  1.938000D-01          -3.963790D-04
            S    12   1.00
                  1.279000D+05          -6.789220D-05
                  1.917000D+04          -5.218360D-04
                  4.363000D+03          -2.765130D-03
                  1.236000D+03          -1.115370D-02
                  4.036000D+02          -3.859190D-02
                  1.457000D+02          -9.948480D-02
                  5.681000D+01          -2.013920D-01
                  2.323000D+01          -1.303130D-01
                  6.644000D+00           5.094430D-01
                  2.575000D+00           6.107250D-01
                  5.371000D-01           4.215490D-02
                  1.938000D-01          -9.234270D-03
            S    12   1.00
                  1.279000D+05           2.049860D-05
                  1.917000D+04           1.582980D-04
                  4.363000D+03           8.336390D-04
                  1.236000D+03           3.398800D-03
                  4.036000D+02           1.167380D-02
                  1.457000D+02           3.096220D-02
                  5.681000D+01           6.295330D-02
                  2.323000D+01           4.602570D-02
                  6.644000D+00          -2.193120D-01
                  2.575000D+00          -4.087730D-01
                  5.371000D-01           6.384650D-01
                  1.938000D-01           5.623620D-01
            S    1   1.00
                  1.938000D-01           1.000000D+00
            S    1   1.00
                  0.0608000              1.0000000
            P    8   1.00
                  4.176000D+02           5.259820D-03
                  9.833000D+01           3.983320D-02
                  3.104000D+01           1.646550D-01
                  1.119000D+01           3.873220D-01
                  4.249000D+00           4.570720D-01
                  1.624000D+00           1.516360D-01
                  5.322000D-01           1.816150D-03
                  1.620000D-01           1.882960D-03
            P    8   1.00
                  4.176000D+02          -1.435700D-03
                  9.833000D+01          -1.077960D-02
                  3.104000D+01          -4.700750D-02
                  1.119000D+01          -1.110300D-01
                  4.249000D+00          -1.532750D-01
                  1.624000D+00           8.946090D-02
                  5.322000D-01           5.794440D-01
                  1.620000D-01           4.832720D-01
            P    1   1.00
                  1.620000D-01           1.000000D+00
            P    1   1.00
                  0.0466000              1.0000000
            D    1   1.00
                  6.000000D-01           1.0000000
            D    1   1.00
                  0.1960000              1.0000000
            ****
            -Ar     0
            S    12   1.00
                  1.457000D+05           2.367000D-04
                  2.184000D+04           1.835230D-03
                  4.972000D+03           9.528600D-03
                  1.408000D+03           3.862830D-02
                  4.597000D+02           1.240810D-01
                  1.659000D+02           2.964710D-01
                  6.469000D+01           4.220680D-01
                  2.644000D+01           2.417110D-01
                  7.628000D+00           2.005090D-02
                  2.996000D+00          -3.610000D-03
                  6.504000D-01           9.756070D-04
                  2.337000D-01          -4.113160D-04
            S    12   1.00
                  1.457000D+05          -6.749100D-05
                  2.184000D+04          -5.185220D-04
                  4.972000D+03          -2.748250D-03
                  1.408000D+03          -1.110070D-02
                  4.597000D+02          -3.848200D-02
                  1.659000D+02          -9.975990D-02
                  6.469000D+01          -2.030880D-01
                  2.644000D+01          -1.356080D-01
                  7.628000D+00           5.071950D-01
                  2.996000D+00           6.128980D-01
                  6.504000D-01           4.429680D-02
                  2.337000D-01          -8.992780D-03
            S    12   1.00
                  1.457000D+05           2.104570D-05
                  2.184000D+04           1.625650D-04
                  4.972000D+03           8.554630D-04
                  1.408000D+03           3.497450D-03
                  4.597000D+02           1.201560D-02
                  1.659000D+02           3.213680D-02
                  6.469000D+01           6.552790D-02
                  2.644000D+01           4.993700D-02
                  7.628000D+00          -2.297690D-01
                  2.996000D+00          -4.210060D-01
                  6.504000D-01           6.423310D-01
                  2.337000D-01           5.675400D-01
            S    1   1.00
                  2.337000D-01           1.000000D+00
            S    1   1.00
                  0.0709000              1.0000000
            P    8   1.00
                  4.537000D+02           5.705550D-03
                  1.068000D+02           4.304600D-02
                  3.373000D+01           1.765910D-01
                  1.213000D+01           4.068630D-01
                  4.594000D+00           4.525490D-01
                  1.678000D+00           1.228010D-01
                  5.909000D-01          -4.459960D-03
                  1.852000D-01           2.052250D-03
            P    8   1.00
                  4.537000D+02          -1.606550D-03
                  1.068000D+02          -1.217140D-02
                  3.373000D+01          -5.207890D-02
                  1.213000D+01          -1.237370D-01
                  4.594000D+00          -1.516190D-01
                  1.678000D+00           1.424250D-01
                  5.909000D-01           5.845010D-01
                  1.852000D-01           4.375400D-01
            P    1   1.00
                  1.852000D-01           1.000000D+00
            P    1   1.00
                  0.0533000              1.0000000
            D    1   1.00
                  7.380000D-01           1.0000000
            D    1   1.00
                  0.2400000              1.0000000
            ****
            -Sc     0
            S    20   1.00
                  2.715278D+06           8.147221D-06
                  4.065984D+05           6.334788D-05
                  9.253004D+04           3.330384D-04
                  2.620792D+04           1.404055D-03
                  8.549429D+03           5.081725D-03
                  3.085975D+03           1.626926D-02
                  1.203172D+03           4.624577D-02
                  4.984869D+02           1.137223D-01
                  2.167360D+02           2.257636D-01
                  9.787476D+01           3.106700D-01
                  4.520433D+01           2.191906D-01
                  2.021187D+01           7.215879D-02
                  9.574751D+00           1.187030D-01
                  4.540346D+00           1.220532D-01
                  1.995687D+00           2.136795D-02
                  9.422150D-01          -5.357246D-04
                  4.178450D-01           2.435774D-04
                  9.576100D-02          -8.796617D-05
                  5.135100D-02           7.878246D-05
                  2.387800D-02          -1.637155D-05
            S    20   1.00
                  2.715278D+06          -4.722109D-06
                  4.065984D+05          -3.671829D-05
                  9.253004D+04          -1.930883D-04
                  2.620792D+04          -8.146870D-04
                  8.549429D+03          -2.955526D-03
                  3.085975D+03          -9.520035D-03
                  1.203172D+03          -2.746858D-02
                  4.984869D+02          -6.991528D-02
                  2.167360D+02          -1.499251D-01
                  9.787476D+01          -2.459153D-01
                  4.520433D+01          -2.401293D-01
                  2.021187D+01           3.567987D-02
                  9.574751D+00           4.915023D-01
                  4.540346D+00           4.911381D-01
                  1.995687D+00           9.120633D-02
                  9.422150D-01          -5.356723D-03
                  4.178450D-01           8.812836D-04
                  9.576100D-02          -7.605536D-04
                  5.135100D-02           6.340116D-04
                  2.387800D-02          -1.556163D-04
            S    20   1.00
                  2.715278D+06           9.139905D-07
                  4.065984D+05           7.108513D-06
                  9.253004D+04           3.738126D-05
                  2.620792D+04           1.578828D-04
                  8.549429D+03           5.737686D-04
                  3.085975D+03           1.859244D-03
                  1.203172D+03           5.433182D-03
                  4.984869D+02           1.425387D-02
                  2.167360D+02           3.246144D-02
                  9.787476D+01           6.003454D-02
                  4.520433D+01           6.916105D-02
                  2.021187D+01          -2.113084D-02
                  9.574751D+00          -2.666832D-01
                  4.540346D+00          -4.367591D-01
                  1.995687D+00           6.498243D-02
                  9.422150D-01           7.009599D-01
                  4.178450D-01           4.515562D-01
                  9.576100D-02           3.011910D-02
                  5.135100D-02          -1.329480D-02
                  2.387800D-02           4.633679D-03
            S    20   1.00
                  2.715278D+06          -2.201951D-07
                  4.065984D+05          -1.711419D-06
                  9.253004D+04          -9.008469D-06
                  2.620792D+04          -3.799997D-05
                  8.549429D+03          -1.383227D-04
                  3.085975D+03          -4.473692D-04
                  1.203172D+03          -1.310691D-03
                  4.984869D+02          -3.429860D-03
                  2.167360D+02          -7.847579D-03
                  9.787476D+01          -1.447189D-02
                  4.520433D+01          -1.690669D-02
                  2.021187D+01           5.396115D-03
                  9.574751D+00           6.671062D-02
                  4.540346D+00           1.178356D-01
                  1.995687D+00          -2.738134D-02
                  9.422150D-01          -2.260149D-01
                  4.178450D-01          -3.073539D-01
                  9.576100D-02           2.544054D-01
                  5.135100D-02           5.981590D-01
                  2.387800D-02           3.115202D-01
            S    20   1.00
                  2.715278D+06          -3.757238D-07
                  4.065984D+05          -2.981907D-06
                  9.253004D+04          -1.522586D-05
                  2.620792D+04          -6.684686D-05
                  8.549429D+03          -2.313129D-04
                  3.085975D+03          -7.959729D-04
                  1.203172D+03          -2.161961D-03
                  4.984869D+02          -6.206459D-03
                  2.167360D+02          -1.261905D-02
                  9.787476D+01          -2.739459D-02
                  4.520433D+01          -2.336516D-02
                  2.021187D+01          -5.734627D-03
                  9.574751D+00           1.536025D-01
                  4.540346D+00           1.447100D-01
                  1.995687D+00           9.359699D-02
                  9.422150D-01          -8.687730D-01
                  4.178450D-01           2.114597D-02
                  9.576100D-02           2.275498D+00
                  5.135100D-02          -1.190770D+00
                  2.387800D-02          -7.674257D-01
            S    1   1.00
                  2.387800D-02           1.000000D+00
            S    1   1.00
                  1.110000D-02           1.000000D+00
            P    16   1.00
                  1.059219D+04           4.500000D-05
                  2.507533D+03           4.010000D-04
                  8.144571D+02           2.302000D-03
                  3.115195D+02           1.003700D-02
                  1.319617D+02           3.495400D-02
                  5.998718D+01           9.790900D-02
                  2.866250D+01           2.106800D-01
                  1.410851D+01           3.300930D-01
                  7.103706D+00           3.310270D-01
                  3.609200D+00           1.579600D-01
                  1.776070D+00           2.209900D-02
                  8.547600D-01          -1.605000D-03
                  4.022390D-01          -1.326000D-03
                  1.546650D-01          -2.800000D-04
                  6.494500D-02           3.400000D-05
                  2.635900D-02          -1.300000D-05
            P    16   1.00
                  1.059219D+04          -1.500000D-05
                  2.507533D+03          -1.310000D-04
                  8.144571D+02          -7.570000D-04
                  3.115195D+02          -3.318000D-03
                  1.319617D+02          -1.170600D-02
                  5.998718D+01          -3.360400D-02
                  2.866250D+01          -7.487900D-02
                  1.410851D+01          -1.225480D-01
                  7.103706D+00          -1.302760D-01
                  3.609200D+00           1.459600D-02
                  1.776070D+00           3.091840D-01
                  8.547600D-01           4.629980D-01
                  4.022390D-01           3.049570D-01
                  1.546650D-01           5.087800D-02
                  6.494500D-02          -4.493000D-03
                  2.635900D-02           1.832000D-03
            P    16   1.00
                  1.059219D+04          -4.000000D-06
                  2.507533D+03          -3.200000D-05
                  8.144571D+02          -1.850000D-04
                  3.115195D+02          -8.080000D-04
                  1.319617D+02          -2.870000D-03
                  5.998718D+01          -8.207000D-03
                  2.866250D+01          -1.847300D-02
                  1.410851D+01          -3.010100D-02
                  7.103706D+00          -3.294300D-02
                  3.609200D+00           7.958000D-03
                  1.776070D+00           8.799300D-02
                  8.547600D-01           1.523770D-01
                  4.022390D-01           9.717000D-02
                  1.546650D-01          -2.569380D-01
                  6.494500D-02          -5.878150D-01
                  2.635900D-02          -3.054210D-01
            P    16   1.00
                  1.059219D+04           4.000000D-06
                  2.507533D+03           3.900000D-05
                  8.144571D+02           2.210000D-04
                  3.115195D+02           9.840000D-04
                  1.319617D+02           3.423000D-03
                  5.998718D+01           9.993000D-03
                  2.866250D+01           2.191600D-02
                  1.410851D+01           3.700800D-02
                  7.103706D+00           3.779400D-02
                  3.609200D+00          -4.379000D-03
                  1.776070D+00          -1.101640D-01
                  8.547600D-01          -1.610170D-01
                  4.022390D-01          -1.824820D-01
                  1.546650D-01           3.886110D-01
                  6.494500D-02           6.911000D-01
                  2.635900D-02           7.960400D-02
            P    1   1.00
                  2.635900D-02           1.000000D+00
            P    1   1.00
                  1.066000D-02           1.000000D+00
            D    8   1.00
                  5.051380D+01           4.266000D-03
                  1.474050D+01           2.770800D-02
                  5.195000D+00           1.000010D-01
                  2.028460D+00           2.315810D-01
                  8.040860D-01           3.460330D-01
                  3.076890D-01           3.733740D-01
                  1.113920D-01           2.642880D-01
                  3.735200D-02           6.366700D-02
            D    8   1.00
                  5.051380D+01          -4.389000D-03
                  1.474050D+01          -2.836300D-02
                  5.195000D+00          -1.051370D-01
                  2.028460D+00          -2.348540D-01
                  8.040860D-01          -3.246090D-01
                  3.076890D-01          -6.428900D-02
                  1.113920D-01           6.017490D-01
                  3.735200D-02           3.903000D-01
            D    1   1.00
                  3.735200D-02           1.000000D+00
            D    1   1.00
                  1.244000D-02           1.000000D+00
            F    2   1.00
                  7.126000D-01           3.617450D-01
                  1.636000D-01           8.218680D-01
            F    1   1.00
                  4.063000D-02           1.000000D+00
            ****
            -Ti     0
            S    20   1.00
                  3.014643D+06           8.060782D-06
                  4.514329D+05           6.267518D-05
                  1.027338D+05           3.295006D-04
                  2.909817D+04           1.389203D-03
                  9.492330D+03           5.028469D-03
                  3.426346D+03           1.610419D-02
                  1.335896D+03           4.581232D-02
                  5.535026D+02           1.128613D-01
                  2.406925D+02           2.248193D-01
                  1.087293D+02           3.114571D-01
                  5.026457D+01           2.224995D-01
                  2.258004D+01           7.293128D-02
                  1.071432D+01           1.160683D-01
                  5.093546D+00           1.194774D-01
                  2.244183D+00           2.097868D-02
                  1.059570D+00          -5.091715D-04
                  4.688490D-01           2.217859D-04
                  1.061430D-01          -7.636896D-05
                  5.526200D-02           7.719539D-05
                  2.546500D-02          -1.149056D-05
            S    20   1.00
                  3.014643D+06          -4.630486D-06
                  4.514329D+05          -3.600451D-05
                  1.027338D+05          -1.893420D-04
                  2.909817D+04          -7.988781D-04
                  9.492330D+03          -2.898698D-03
                  3.426346D+03          -9.339701D-03
                  1.335896D+03          -2.697464D-02
                  5.535026D+02          -6.878913D-02
                  2.406925D+02          -1.481037D-01
                  1.087293D+02          -2.445253D-01
                  5.026457D+01          -2.419916D-01
                  2.258004D+01           3.183790D-02
                  1.071432D+01           4.932686D-01
                  5.093546D+00           4.939655D-01
                  2.244183D+00           9.196313D-02
                  1.059570D+00          -5.316992D-03
                  4.688490D-01           8.085624D-04
                  1.061430D-01          -6.918459D-04
                  5.526200D-02           6.086512D-04
                  2.546500D-02          -1.313842D-04
            S    20   1.00
                  3.014643D+06           9.230559D-07
                  4.514329D+05           7.178974D-06
                  1.027338D+05           3.775134D-05
                  2.909817D+04           1.594532D-04
                  9.492330D+03           5.795150D-04
                  3.426346D+03           1.878414D-03
                  1.335896D+03           5.492747D-03
                  5.535026D+02           1.443297D-02
                  2.406925D+02           3.296408D-02
                  1.087293D+02           6.125493D-02
                  5.026457D+01           7.134113D-02
                  2.258004D+01          -1.973150D-02
                  1.071432D+01          -2.741869D-01
                  5.093546D+00          -4.440977D-01
                  2.244183D+00           7.776084D-02
                  1.059570D+00           7.068444D-01
                  4.688490D-01           4.413892D-01
                  1.061430D-01           2.799769D-02
                  5.526200D-02          -1.210790D-02
                  2.546500D-02           4.324762D-03
            S    20   1.00
                  3.014643D+06          -2.180323D-07
                  4.514329D+05          -1.694860D-06
                  1.027338D+05          -8.919208D-06
                  2.909817D+04          -3.763633D-05
                  9.492330D+03          -1.369575D-04
                  3.426346D+03          -4.432894D-04
                  1.335896D+03          -1.298868D-03
                  5.535026D+02          -3.406752D-03
                  2.406925D+02          -7.810829D-03
                  1.087293D+02          -1.449245D-02
                  5.026457D+01          -1.708136D-02
                  2.258004D+01           4.897666D-03
                  1.071432D+01           6.753108D-02
                  5.093546D+00           1.173318D-01
                  2.244183D+00          -2.985025D-02
                  1.059570D+00          -2.277634D-01
                  4.688490D-01          -2.928115D-01
                  1.061430D-01           2.665300D-01
                  5.526200D-02           5.912406D-01
                  2.546500D-02           3.037229D-01
            S    20   1.00
                  3.014643D+06          -3.975126D-07
                  4.514329D+05          -3.161080D-06
                  1.027338D+05          -1.609375D-05
                  2.909817D+04          -7.092947D-05
                  9.492330D+03          -2.442710D-04
                  3.426346D+03          -8.457892D-04
                  1.335896D+03          -2.282208D-03
                  5.535026D+02          -6.619873D-03
                  2.406925D+02          -1.335024D-02
                  1.087293D+02          -2.955830D-02
                  5.026457D+01          -2.477039D-02
                  2.258004D+01          -8.414624D-03
                  1.071432D+01           1.693855D-01
                  5.093546D+00           1.500787D-01
                  2.244183D+00           9.787777D-02
                  1.059570D+00          -9.653608D-01
                  4.688490D-01           1.489721D-01
                  1.061430D-01           2.191179D+00
                  5.526200D-02          -1.243325D+00
                  2.546500D-02          -6.711916D-01
            S    1   1.00
                  2.546500D-02           1.000000D+00
            S    1   1.00
                  1.173000D-02           1.000000D+00
            P    16   1.00
                  1.191203D+04           4.400000D-05
                  2.819947D+03           3.910000D-04
                  9.159479D+02           2.248000D-03
                  3.503842D+02           9.823000D-03
                  1.484825D+02           3.433800D-02
                  6.753944D+01           9.666600D-02
                  3.230332D+01           2.094170D-01
                  1.592786D+01           3.301890D-01
                  8.038035D+00           3.319360D-01
                  4.093916D+00           1.584880D-01
                  2.022390D+00           2.231000D-02
                  9.761020D-01          -1.566000D-03
                  4.595950D-01          -1.324000D-03
                  1.771520D-01          -2.710000D-04
                  7.351700D-02           3.200000D-05
                  2.940100D-02          -1.200000D-05
            P    16   1.00
                  1.191203D+04          -1.500000D-05
                  2.819947D+03          -1.310000D-04
                  9.159479D+02          -7.550000D-04
                  3.503842D+02          -3.319000D-03
                  1.484825D+02          -1.175000D-02
                  6.753944D+01          -3.392200D-02
                  3.230332D+01          -7.616400D-02
                  1.592786D+01          -1.257020D-01
                  8.038035D+00          -1.330980D-01
                  4.093916D+00           1.740600D-02
                  2.022390D+00           3.151650D-01
                  9.761020D-01           4.618140D-01
                  4.595950D-01           2.998560D-01
                  1.771520D-01           5.000000D-02
                  7.351700D-02          -4.230000D-03
                  2.940100D-02           1.725000D-03
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.100000D-05
                  9.159479D+02           1.820000D-04
                  3.503842D+02           7.950000D-04
                  1.484825D+02           2.833000D-03
                  6.753944D+01           8.154000D-03
                  3.230332D+01           1.847200D-02
                  1.592786D+01           3.040000D-02
                  8.038035D+00           3.304700D-02
                  4.093916D+00          -8.251000D-03
                  2.022390D+00          -8.855400D-02
                  9.761020D-01          -1.496120D-01
                  4.595950D-01          -9.422700D-02
                  1.771520D-01           2.508460D-01
                  7.351700D-02           5.866430D-01
                  2.940100D-02           3.135350D-01
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.900000D-05
                  9.159479D+02           2.230000D-04
                  3.503842D+02           9.920000D-04
                  1.484825D+02           3.476000D-03
                  6.753944D+01           1.017200D-02
                  3.230332D+01           2.257600D-02
                  1.592786D+01           3.823800D-02
                  8.038035D+00           3.933700D-02
                  4.093916D+00          -6.106000D-03
                  2.022390D+00          -1.129620D-01
                  9.761020D-01          -1.681140D-01
                  4.595950D-01          -1.659320D-01
                  1.771520D-01           3.914030D-01
                  7.351700D-02           6.818400D-01
                  2.940100D-02           8.403100D-02
            P    1   1.00
                  2.940100D-02           1.000000D+00
            P    1   1.00
                  1.176000D-02           1.000000D+00
            D    8   1.00
                  6.401300D+01           3.887000D-03
                  1.881790D+01           2.639900D-02
                  6.728700D+00           9.751100D-02
                  2.664130D+00           2.328480D-01
                  1.078680D+00           3.531520D-01
                  4.232090D-01           3.721860D-01
                  1.559990D-01           2.476720D-01
                  5.188400D-02           5.823600D-02
            D    8   1.00
                  6.401300D+01          -3.970000D-03
                  1.881790D+01          -2.687300D-02
                  6.728700D+00          -1.022750D-01
                  2.664130D+00          -2.377280D-01
                  1.078680D+00          -3.121140D-01
                  4.232090D-01          -4.237800D-02
                  1.559990D-01           5.886580D-01
                  5.188400D-02           4.103020D-01
            D    1   1.00
                  5.188400D-02           1.000000D+00
            D    1   1.00
                  1.726000D-02           1.000000D+00
            F    2   1.00
                  1.227400D+00           3.581580D-01
                  2.788000D-01           8.257940D-01
            F    1   1.00
                  8.266000D-02           1.000000D+00
            ****
            -V     0
            S    20   1.00
                  3.321857D+06           8.039999D-06
                  4.974356D+05           6.251402D-05
                  1.132027D+05           3.286553D-04
                  3.206333D+04           1.385697D-03
                  1.045962D+04           5.016217D-03
                  3.775506D+03           1.606931D-02
                  1.472040D+03           4.574242D-02
                  6.099331D+02           1.128544D-01
                  2.652634D+02           2.254344D-01
                  1.198607D+02           3.140461D-01
                  5.544891D+01           2.267819D-01
                  2.498372D+01           7.334069D-02
                  1.188056D+01           1.102474D-01
                  5.660311D+00           1.131358D-01
                  2.495703D+00           1.971295D-02
                  1.177866D+00          -4.719088D-04
                  5.200440D-01           1.861606D-04
                  1.159650D-01          -6.208598D-05
                  5.893800D-02           7.295314D-05
                  2.694600D-02          -6.362062D-06
            S    20   1.00
                  3.321857D+06          -4.503003D-06
                  4.974356D+05          -3.501295D-05
                  1.132027D+05          -1.841339D-04
                  3.206333D+04          -7.769216D-04
                  1.045962D+04          -2.819505D-03
                  3.775506D+03          -9.087486D-03
                  1.472040D+03          -2.627134D-02
                  6.099331D+02          -6.712726D-02
                  2.652634D+02          -1.451130D-01
                  1.198607D+02          -2.412483D-01
                  5.544891D+01          -2.416314D-01
                  2.498372D+01           3.067362D-02
                  1.188056D+01           4.970415D-01
                  5.660311D+00           4.958875D-01
                  2.495703D+00           9.181868D-02
                  1.177866D+00          -5.392514D-03
                  5.200440D-01           7.102380D-04
                  1.159650D-01          -6.363128D-04
                  5.893800D-02           5.979932D-04
                  2.694600D-02          -1.100879D-04
            S    20   1.00
                  3.321857D+06           9.320648D-07
                  4.974356D+05           7.249306D-06
                  1.132027D+05           3.811967D-05
                  3.206333D+04           1.610238D-04
                  1.045962D+04           5.852210D-04
                  3.775506D+03           1.897502D-03
                  1.472040D+03           5.550909D-03
                  6.099331D+02           1.460584D-02
                  2.652634D+02           3.342974D-02
                  1.198607D+02           6.235722D-02
                  5.544891D+01           7.312435D-02
                  2.498372D+01          -1.911472D-02
                  1.188056D+01          -2.817249D-01
                  5.660311D+00          -4.488151D-01
                  2.495703D+00           9.202696D-02
                  1.177866D+00           7.110117D-01
                  5.200440D-01           4.309274D-01
                  1.159650D-01           2.604589D-02
                  5.893800D-02          -1.101049D-02
                  2.694600D-02           4.106300D-03
            S    20   1.00
                  3.321857D+06          -2.158944D-07
                  4.974356D+05          -1.678519D-06
                  1.132027D+05          -8.831213D-06
                  3.206333D+04          -3.727769D-05
                  1.045962D+04          -1.356099D-04
                  3.775506D+03          -4.392351D-04
                  1.472040D+03          -1.286948D-03
                  6.099331D+02          -3.382149D-03
                  2.652634D+02          -7.765646D-03
                  1.198607D+02          -1.447985D-02
                  5.544891D+01          -1.715502D-02
                  2.498372D+01           4.610101D-03
                  1.188056D+01           6.827831D-02
                  5.660311D+00           1.161368D-01
                  2.495703D+00          -3.277049D-02
                  1.177866D+00          -2.280000D-01
                  5.200440D-01          -2.793991D-01
                  1.159650D-01           2.771165D-01
                  5.893800D-02           5.852999D-01
                  2.694600D-02           2.963946D-01
            S    20   1.00
                  3.321857D+06          -4.093416D-07
                  4.974356D+05          -3.258956D-06
                  1.132027D+05          -1.656390D-05
                  3.206333D+04          -7.316689D-05
                  1.045962D+04          -2.512784D-04
                  3.775506D+03          -8.732657D-04
                  1.472040D+03          -2.347654D-03
                  6.099331D+02          -6.853150D-03
                  2.652634D+02          -1.376420D-02
                  1.198607D+02          -3.084679D-02
                  5.544891D+01          -2.562208D-02
                  2.498372D+01          -1.005123D-02
                  1.188056D+01           1.795330D-01
                  5.660311D+00           1.522400D-01
                  2.495703D+00           9.483887D-02
                  1.177866D+00          -1.014876D+00
                  5.200440D-01           2.308810D-01
                  1.159650D-01           2.113321D+00
                  5.893800D-02          -1.253048D+00
                  2.694600D-02          -6.139502D-01
            S    1   1.00
                  2.694600D-02           1.000000D+00
            S    1   1.00
                  1.232000D-02           1.000000D+00
            P    16   1.00
                  1.327320D+04           4.300000D-05
                  3.142126D+03           3.840000D-04
                  1.020588D+03           2.210000D-03
                  3.904407D+02           9.678000D-03
                  1.655043D+02           3.393600D-02
                  7.532006D+01           9.591700D-02
                  3.605503D+01           2.088530D-01
                  1.780436D+01           3.306600D-01
                  9.002929D+00           3.323120D-01
                  4.594544D+00           1.581880D-01
                  2.276760D+00           2.225200D-02
                  1.101178D+00          -1.565000D-03
                  5.186380D-01          -1.353000D-03
                  2.005650D-01          -2.650000D-04
                  8.129100D-02           2.900000D-05
                  3.179500D-02          -1.100000D-05
            P    16   1.00
                  1.327320D+04          -1.500000D-05
                  3.142126D+03          -1.310000D-04
                  1.020588D+03          -7.550000D-04
                  3.904407D+02          -3.325000D-03
                  1.655043D+02          -1.181100D-02
                  7.532006D+01          -3.425600D-02
                  3.605503D+01          -7.736300D-02
                  1.780436D+01          -1.284560D-01
                  9.002929D+00          -1.350780D-01
                  4.594544D+00           2.083800D-02
                  2.276760D+00           3.204990D-01
                  1.101178D+00           4.602600D-01
                  5.186380D-01           2.953460D-01
                  2.005650D-01           4.904600D-02
                  8.129100D-02          -3.824000D-03
                  3.179500D-02           1.585000D-03
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.200000D-05
                  1.020588D+03           1.830000D-04
                  3.904407D+02           8.020000D-04
                  1.655043D+02           2.862000D-03
                  7.532006D+01           8.287000D-03
                  3.605503D+01           1.887000D-02
                  1.780436D+01           3.130700D-02
                  9.002929D+00           3.366000D-02
                  4.594544D+00          -9.479000D-03
                  2.276760D+00          -9.231300D-02
                  1.101178D+00          -1.489890D-01
                  5.186380D-01          -8.364400D-02
                  2.005650D-01           2.493390D-01
                  8.129100D-02           5.805150D-01
                  3.179500D-02           3.223800D-01
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.900000D-05
                  1.020588D+03           2.230000D-04
                  3.904407D+02           9.960000D-04
                  1.655043D+02           3.498000D-03
                  7.532006D+01           1.029600D-02
                  3.605503D+01           2.296200D-02
                  1.780436D+01           3.920800D-02
                  9.002929D+00           3.994300D-02
                  4.594544D+00          -7.121000D-03
                  2.276760D+00          -1.162250D-01
                  1.101178D+00          -1.694960D-01
                  5.186380D-01          -1.553740D-01
                  2.005650D-01           3.950220D-01
                  8.129100D-02           6.789080D-01
                  3.179500D-02           8.312200D-02
            P    1   1.00
                  3.179500D-02           1.000000D+00
            P    1   1.00
                  1.244000D-02           1.000000D+00
            D    8   1.00
                  7.761150D+01           3.595000D-03
                  2.291590D+01           2.521000D-02
                  8.279540D+00           9.478600D-02
                  3.309930D+00           2.303630D-01
                  1.358630D+00           3.528940D-01
                  5.413500D-01           3.704140D-01
                  2.023560D-01           2.457180D-01
                  6.756800D-02           6.099300D-02
            D    8   1.00
                  7.761150D+01          -3.818000D-03
                  2.291590D+01          -2.671700D-02
                  8.279540D+00          -1.036900D-01
                  3.309930D+00          -2.476890D-01
                  1.358630D+00          -3.115230D-01
                  5.413500D-01          -2.282700D-02
                  2.023560D-01           5.697260D-01
                  6.756800D-02           4.194930D-01
            D    1   1.00
                  6.756800D-02           1.000000D+00
            D    1   1.00
                  2.256000D-02           1.000000D+00
            F    2   1.00
                  1.748800D+00           3.900680D-01
                  4.057000D-01           8.008410D-01
            F    1   1.00
                  1.311200D-01           1.000000D+00
            ****
            -Cr     0
            S    20   1.00
                  6.177194D+06           4.128667D-06
                  9.249295D+05           3.210767D-05
                  2.104865D+05           1.688416D-04
                  5.962005D+04           7.128520D-04
                  1.945076D+04           2.589325D-03
                  7.022056D+03           8.377350D-03
                  2.738763D+03           2.441725D-02
                  1.135814D+03           6.365135D-02
                  4.950923D+02           1.427618D-01
                  2.247487D+02           2.541275D-01
                  1.053836D+02           3.009512D-01
                  5.019359D+01           1.766513D-01
                  2.224957D+01           6.936709D-02
                  1.098265D+01           1.179579D-01
                  5.383665D+00           8.916187D-02
                  2.343685D+00           1.103630D-02
                  1.105202D+00          -3.546048D-04
                  4.878480D-01           1.057311D-04
                  8.959900D-02           1.114640D-05
                  3.342300D-02           2.661387D-05
            S    20   1.00
                  6.177194D+06          -2.301772D-06
                  9.249295D+05          -1.789536D-05
                  2.104865D+05          -9.416174D-05
                  5.962005D+04          -3.975074D-04
                  1.945076D+04          -1.447025D-03
                  7.022056D+03          -4.694622D-03
                  2.738763D+03          -1.382387D-02
                  1.135814D+03          -3.674643D-02
                  4.950923D+02          -8.647185D-02
                  2.247487D+02          -1.696735D-01
                  1.053836D+02          -2.507089D-01
                  5.019359D+01          -1.961156D-01
                  2.224957D+01           1.457244D-01
                  1.098265D+01           5.466706D-01
                  5.383665D+00           3.979434D-01
                  2.343685D+00           5.277007D-02
                  1.105202D+00          -4.374537D-03
                  4.878480D-01           3.204035D-04
                  8.959900D-02          -5.142077D-05
                  3.342300D-02           1.584134D-04
            S    20   1.00
                  6.177194D+06           4.862957D-07
                  9.249295D+05           3.776645D-06
                  2.104865D+05           1.990664D-05
                  5.962005D+04           8.389164D-05
                  1.945076D+04           3.065706D-04
                  7.022056D+03           9.944107D-04
                  2.738763D+03           2.961959D-03
                  1.135814D+03           7.969473D-03
                  4.950923D+02           1.955017D-02
                  2.247487D+02           4.085035D-02
                  1.053836D+02           6.929003D-02
                  5.019359D+01           6.146984D-02
                  2.224957D+01          -6.981302D-02
                  1.098265D+01          -3.517597D-01
                  5.383665D+00          -3.828629D-01
                  2.343685D+00           2.676401D-01
                  1.105202D+00           7.175950D-01
                  4.878480D-01           3.020814D-01
                  8.959900D-02           7.749514D-03
                  3.342300D-02           2.696096D-04
            S    20   1.00
                  6.177194D+06          -1.102451D-07
                  9.249295D+05          -8.530233D-07
                  2.104865D+05          -4.520358D-06
                  5.962005D+04          -1.891612D-05
                  1.945076D+04          -6.974344D-05
                  7.022056D+03          -2.237867D-04
                  2.738763D+03          -6.754503D-04
                  1.135814D+03          -1.789346D-03
                  4.950923D+02          -4.477858D-03
                  2.247487D+02          -9.140144D-03
                  1.053836D+02          -1.610562D-02
                  5.019359D+01          -1.334870D-02
                  2.224957D+01           1.426027D-02
                  1.098265D+01           8.931690D-02
                  5.383665D+00           8.885279D-02
                  2.343685D+00          -6.368776D-02
                  1.105202D+00          -2.783262D-01
                  4.878480D-01          -1.830071D-01
                  8.959900D-02           6.790937D-01
                  3.342300D-02           4.672953D-01
            S    20   1.00
                  6.177194D+06           2.179893D-07
                  9.249295D+05           1.612940D-06
                  2.104865D+05           9.111842D-06
                  5.962005D+04           3.500645D-05
                  1.945076D+04           1.435315D-04
                  7.022056D+03           4.035896D-04
                  2.738763D+03           1.425177D-03
                  1.135814D+03           3.114009D-03
                  4.950923D+02           9.814449D-03
                  2.247487D+02           1.474698D-02
                  1.053836D+02           3.911512D-02
                  5.019359D+01           9.170888D-03
                  2.224957D+01           1.559878D-02
                  1.098265D+01          -2.816844D-01
                  5.383665D+00          -6.895261D-03
                  2.343685D+00          -1.769781D-01
                  1.105202D+00           1.443061D+00
                  4.878480D-01          -1.029318D+00
                  8.959900D-02          -1.307667D+00
                  3.342300D-02           1.503842D+00
            S    1   1.00
                  3.342300D-02           1.000000D+00
            S    1   1.00
                  1.247000D-02           1.000000D+00
            P    16   1.00
                  1.445420D+04           4.400000D-05
                  3.421676D+03           3.890000D-04
                  1.111387D+03           2.241000D-03
                  4.251918D+02           9.821000D-03
                  1.802623D+02           3.447100D-02
                  8.206117D+01           9.746000D-02
                  3.929726D+01           2.119850D-01
                  1.941959D+01           3.339900D-01
                  9.828899D+00           3.301370D-01
                  5.016810D+00           1.522270D-01
                  2.487091D+00           2.042500D-02
                  1.198780D+00          -1.360000D-03
                  5.586950D-01          -1.195000D-03
                  2.089240D-01          -1.970000D-04
                  8.460800D-02           2.300000D-05
                  3.325800D-02          -9.000000D-06
            P    16   1.00
                  1.445420D+04          -1.500000D-05
                  3.421676D+03          -1.350000D-04
                  1.111387D+03          -7.770000D-04
                  4.251918D+02          -3.427000D-03
                  1.802623D+02          -1.218900D-02
                  8.206117D+01          -3.538800D-02
                  3.929726D+01          -7.991500D-02
                  1.941959D+01          -1.323350D-01
                  9.828899D+00          -1.354010D-01
                  5.016810D+00           3.200800D-02
                  2.487091D+00           3.338490D-01
                  1.198780D+00           4.617730D-01
                  5.586950D-01           2.812900D-01
                  2.089240D-01           4.184300D-02
                  8.460800D-02          -4.002000D-03
                  3.325800D-02           1.521000D-03
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           3.200000D-05
                  1.111387D+03           1.850000D-04
                  4.251918D+02           8.100000D-04
                  1.802623D+02           2.906000D-03
                  8.206117D+01           8.391000D-03
                  3.929726D+01           1.919300D-02
                  1.941959D+01           3.156400D-02
                  9.828899D+00           3.341700D-02
                  5.016810D+00          -1.290700D-02
                  2.487091D+00          -9.365900D-02
                  1.198780D+00          -1.499770D-01
                  5.586950D-01          -6.723400D-02
                  2.089240D-01           2.707590D-01
                  8.460800D-02           5.758070D-01
                  3.325800D-02           3.011210D-01
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           4.000000D-05
                  1.111387D+03           2.290000D-04
                  4.251918D+02           1.019000D-03
                  1.802623D+02           3.602000D-03
                  8.206117D+01           1.055000D-02
                  3.929726D+01           2.370200D-02
                  1.941959D+01           3.998800D-02
                  9.828899D+00           4.043700D-02
                  5.016810D+00          -1.207400D-02
                  2.487091D+00          -1.189390D-01
                  1.198780D+00          -1.781000D-01
                  5.586950D-01          -1.238650D-01
                  2.089240D-01           4.297220D-01
                  8.460800D-02           6.507860D-01
                  3.325800D-02           6.417100D-02
            P    1   1.00
                  3.325800D-02           1.000000D+00
            P    1   1.00
                  1.307000D-02           1.000000D+00
            D    8   1.00
                  8.857680D+01           3.621000D-03
                  2.620450D+01           2.576600D-02
                  9.517470D+00           9.755600D-02
                  3.822480D+00           2.363120D-01
                  1.575120D+00           3.582860D-01
                  6.289280D-01           3.685430D-01
                  2.344240D-01           2.354940D-01
                  7.681500D-02           5.315600D-02
            D    8   1.00
                  8.857680D+01          -4.122000D-03
                  2.620450D+01          -2.930700D-02
                  9.517470D+00          -1.150620D-01
                  3.822480D+00          -2.730680D-01
                  1.575120D+00          -3.144230D-01
                  6.289280D-01           4.209700D-02
                  2.344240D-01           5.914030D-01
                  7.681500D-02           3.582150D-01
            D    1   1.00
                  7.681500D-02           1.000000D+00
            D    1   1.00
                  2.517000D-02           1.000000D+00
            F    2   1.00
                  2.221100D+00           4.235450D-01
                  5.231000D-01           7.741140D-01
            F    1   1.00
                  1.763600D-01           1.000000D+00
            ****
            -Mn     0
            S    20   1.00
                  3.960805D+06           8.242127D-06
                  5.931155D+05           6.408587D-05
                  1.349768D+05           3.369253D-04
                  3.823067D+04           1.420648D-03
                  1.247154D+04           5.143683D-03
                  4.501743D+03           1.648569D-02
                  1.755212D+03           4.698560D-02
                  7.273039D+02           1.162437D-01
                  3.163678D+02           2.335277D-01
                  1.430098D+02           3.292837D-01
                  6.621805D+01           2.440304D-01
                  2.991896D+01           7.219806D-02
                  1.430318D+01           7.687806D-02
                  6.839451D+00           7.852235D-02
                  3.012374D+00           1.294109D-02
                  1.418808D+00          -3.784873D-04
                  6.236240D-01          -2.503203D-05
                  1.340980D-01          -2.421517D-05
                  6.554800D-02           3.462071D-05
                  2.958400D-02           4.261482D-07
            S    20   1.00
                  3.960805D+06          -3.936095D-06
                  5.931155D+05          -3.060481D-05
                  1.349768D+05          -1.609626D-04
                  3.823067D+04          -6.792348D-04
                  1.247154D+04          -2.466182D-03
                  4.501743D+03          -7.957629D-03
                  1.755212D+03          -2.307248D-02
                  7.273039D+02          -5.932956D-02
                  3.163678D+02          -1.299451D-01
                  1.430098D+02          -2.212352D-01
                  6.621805D+01          -2.292550D-01
                  2.991896D+01           3.580733D-02
                  1.430318D+01           5.107602D-01
                  6.839451D+00           5.008307D-01
                  3.012374D+00           9.011830D-02
                  1.418808D+00          -6.909909D-03
                  6.236240D-01          -1.912925D-04
                  1.340980D-01          -6.032312D-04
                  6.554800D-02           5.621608D-04
                  2.958400D-02          -1.021109D-04
            S    20   1.00
                  3.960805D+06           9.462709D-07
                  5.931155D+05           7.360584D-06
                  1.349768D+05           3.869935D-05
                  3.823067D+04           1.635110D-04
                  1.247154D+04           5.941775D-04
                  4.501743D+03           1.927737D-03
                  1.755212D+03           5.641731D-03
                  7.273039D+02           1.487848D-02
                  3.163678D+02           3.414783D-02
                  1.430098D+02           6.405794D-02
                  6.621805D+01           7.557659D-02
                  2.991896D+01          -1.946070D-02
                  1.430318D+01          -2.957874D-01
                  6.839451D+00          -4.521170D-01
                  3.012374D+00           1.224531D-01
                  1.418808D+00           7.169756D-01
                  6.236240D-01           4.092712D-01
                  1.340980D-01           2.221969D-02
                  6.554800D-02          -9.011202D-03
                  2.958400D-02           3.691727D-03
            S    20   1.00
                  3.960805D+06          -2.095391D-07
                  5.931155D+05          -1.629439D-06
                  1.349768D+05          -8.570592D-06
                  3.823067D+04          -3.619272D-05
                  1.247154D+04          -1.316146D-04
                  4.501743D+03          -4.266810D-04
                  1.755212D+03          -1.250270D-03
                  7.273039D+02          -3.294665D-03
                  3.163678D+02          -7.581860D-03
                  1.430098D+02          -1.422864D-02
                  6.621805D+01          -1.693796D-02
                  2.991896D+01           4.454298D-03
                  1.430318D+01           6.867042D-02
                  6.839451D+00           1.113335D-01
                  3.012374D+00          -3.900820D-02
                  1.418808D+00          -2.215755D-01
                  6.236240D-01          -2.544359D-01
                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
                  2.958400D-02           2.898778D-01
            S    20   1.00
                  3.960805D+06          -4.121231D-07
                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
                  3.823067D+04          -7.369999D-05
                  1.247154D+04          -2.529495D-04
                  4.501743D+03          -8.801425D-04
                  1.755212D+03          -2.365482D-03
                  7.273039D+02          -6.926354D-03
                  3.163678D+02          -1.393851D-02
                  1.430098D+02          -3.143840D-02
                  6.621805D+01          -2.625749D-02
                  2.991896D+01          -1.048313D-02
                  1.430318D+01           1.856472D-01
                  6.839451D+00           1.524839D-01
                  3.012374D+00           7.411368D-02
                  1.418808D+00          -1.018097D+00
                  6.236240D-01           2.980372D-01
                  1.340980D-01           1.971989D+00
                  6.554800D-02          -1.179253D+00
                  2.958400D-02          -5.837703D-01
            S    1   1.00
                  2.958400D-02           1.000000D+00
            S    1   1.00
                  1.335000D-02           1.000000D+00
            P    16   1.00
                  1.620586D+04           4.200000D-05
                  3.836274D+03           3.730000D-04
                  1.246048D+03           2.149000D-03
                  4.767535D+02           9.445000D-03
                  2.021895D+02           3.329700D-02
                  9.209487D+01           9.475900D-02
                  4.414720D+01           2.081440D-01
                  2.185468D+01           3.318050D-01
                  1.108596D+01           3.331750D-01
                  5.674108D+00           1.576010D-01
                  2.823170D+00           2.144500D-02
                  1.368621D+00          -2.558000D-03
                  6.444310D-01          -2.027000D-03
                  2.483820D-01          -3.600000D-04
                  9.725500D-02           3.400000D-05
                  3.663300D-02          -1.300000D-05
            P    16   1.00
                  1.620586D+04          -1.500000D-05
                  3.836274D+03          -1.290000D-04
                  1.246048D+03          -7.480000D-04
                  4.767535D+02          -3.308000D-03
                  2.021895D+02          -1.181100D-02
                  9.209487D+01          -3.453300D-02
                  4.414720D+01          -7.878500D-02
                  2.185468D+01          -1.321830D-01
                  1.108596D+01          -1.371950D-01
                  5.674108D+00           2.707500D-02
                  2.823170D+00           3.288910D-01
                  1.368621D+00           4.572800D-01
                  6.444310D-01           2.889080D-01
                  2.483820D-01           4.743300D-02
                  9.725500D-02          -3.522000D-03
                  3.663300D-02           1.456000D-03
            P    16   1.00
                  1.620586D+04           3.000000D-06
                  3.836274D+03           3.000000D-05
                  1.246048D+03           1.720000D-04
                  4.767535D+02           7.620000D-04
                  2.021895D+02           2.726000D-03
                  9.209487D+01           7.976000D-03
                  4.414720D+01           1.828700D-02
                  2.185468D+01           3.077600D-02
                  1.108596D+01           3.237300D-02
                  5.674108D+00          -9.978000D-03
                  2.823170D+00          -9.052900D-02
                  1.368621D+00          -1.380040D-01
                  6.444310D-01          -7.796500D-02
                  2.483820D-01           2.295600D-01
                  9.725500D-02           5.761220D-01
                  3.663300D-02           3.485380D-01
            P    16   1.00
                  1.620586D+04           4.000000D-06
                  3.836274D+03           4.000000D-05
                  1.246048D+03           2.260000D-04
                  4.767535D+02           1.013000D-03
                  2.021895D+02           3.575000D-03
                  9.209487D+01           1.061200D-02
                  4.414720D+01           2.390200D-02
                  2.185468D+01           4.127900D-02
                  1.108596D+01           4.147500D-02
                  5.674108D+00          -9.458000D-03
                  2.823170D+00          -1.236950D-01
                  1.368621D+00          -1.743920D-01
                  6.444310D-01          -1.291700D-01
                  2.483820D-01           4.003480D-01
                  9.725500D-02           6.696460D-01
                  3.663300D-02           8.273200D-02
            P    1   1.00
                  3.663300D-02           1.000000D+00
            P    1   1.00
                  1.380000D-02           1.000000D+00
            D    8   1.00
                  1.006630D+02           3.579000D-03
                  2.983360D+01           2.582700D-02
                  1.088940D+01           9.855900D-02
                  4.393580D+00           2.383270D-01
                  1.817820D+00           3.587070D-01
                  7.278270D-01           3.650920D-01
                  2.712950D-01           2.337380D-01
                  8.830900D-02           5.661800D-02
            D    8   1.00
                  1.006630D+02          -3.454000D-03
                  2.983360D+01          -2.492500D-02
                  1.088940D+01          -9.763500D-02
                  4.393580D+00          -2.366920D-01
                  1.817820D+00          -2.923500D-01
                  7.278270D-01          -4.973000D-03
                  2.712950D-01           5.065880D-01
                  8.830900D-02           4.979510D-01
            D    1   1.00
                  8.830900D-02           1.000000D+00
            D    1   1.00
                  2.875000D-02           1.000000D+00
            F    2   1.00
                  2.703200D+00           4.267760D-01
                  6.438000D-01           7.697990D-01
            F    1   1.00
                  2.226000D-01           1.000000D+00
            ****
            -Fe     0
            S    20   1.00
                  4.316265D+06           8.048803D-06
                  6.463424D+05           6.258306D-05
                  1.470897D+05           3.290239D-04
                  4.166152D+04           1.387355D-03
                  1.359077D+04           5.023256D-03
                  4.905750D+03           1.610140D-02
                  1.912746D+03           4.590034D-02
                  7.926043D+02           1.136154D-01
                  3.448065D+02           2.283869D-01
                  1.558999D+02           3.221159D-01
                  7.223091D+01           2.383661D-01
                  3.272506D+01           7.404667D-02
                  1.566762D+01           9.214197D-02
                  7.503483D+00           9.339790D-02
                  3.312223D+00           1.573965D-02
                  1.558471D+00          -4.186682D-04
                  6.839140D-01           5.376318D-05
                  1.467570D-01          -3.816654D-05
                  7.058300D-02           4.319603D-05
                  3.144900D-02          -3.401019D-06
            S    20   1.00
                  4.316265D+06          -4.155954D-06
                  6.463424D+05          -3.231401D-05
                  1.470897D+05          -1.699525D-04
                  4.166152D+04          -7.171369D-04
                  1.359077D+04          -2.603625D-03
                  4.905750D+03          -8.399109D-03
                  1.912746D+03          -2.434109D-02
                  7.926043D+02          -6.251948D-02
                  3.448065D+02          -1.365929D-01
                  1.558999D+02          -2.312707D-01
                  7.223091D+01          -2.383734D-01
                  3.272506D+01           3.123837D-02
                  1.566762D+01           5.086818D-01
                  7.503483D+00           4.987695D-01
                  3.312223D+00           9.033552D-02
                  1.558471D+00          -6.005337D-03
                  6.839140D-01           2.312454D-04
                  1.467570D-01          -5.643680D-04
                  7.058300D-02           4.992260D-04
                  3.144900D-02          -1.015293D-04
            S    20   1.00
                  4.316265D+06           9.532178D-07
                  6.463424D+05           7.414605D-06
                  1.470897D+05           3.898393D-05
                  4.166152D+04           1.647152D-04
                  1.359077D+04           5.985980D-04
                  4.905750D+03           1.942390D-03
                  1.912746D+03           5.687237D-03
                  7.926043D+02           1.501329D-02
                  3.448065D+02           3.452455D-02
                  1.558999D+02           6.495820D-02
                  7.223091D+01           7.716194D-02
                  3.272506D+01          -1.873411D-02
                  1.566762D+01          -3.009185D-01
                  7.503483D+00          -4.554661D-01
                  3.312223D+00           1.286463D-01
                  1.558471D+00           7.183316D-01
                  6.839140D-01           4.051743D-01
                  1.467570D-01           2.168227D-02
                  7.058300D-02          -8.343566D-03
                  3.144900D-02           3.658979D-03
            S    20   1.00
                  4.316265D+06          -2.063008D-07
                  6.463424D+05          -1.604169D-06
                  1.470897D+05          -8.438437D-06
                  4.166152D+04          -3.563151D-05
                  1.359077D+04          -1.295998D-04
                  4.905750D+03          -4.201534D-04
                  1.912746D+03          -1.231954D-03
                  7.926043D+02          -3.248922D-03
                  3.448065D+02          -7.493717D-03
                  1.558999D+02          -1.410102D-02
                  7.223091D+01          -1.691600D-02
                  3.272506D+01           4.218996D-03
                  1.566762D+01           6.833810D-02
                  7.503483D+00           1.098201D-01
                  3.312223D+00          -4.009005D-02
                  1.558471D+00          -2.174739D-01
                  6.839140D-01          -2.465135D-01
                  1.467570D-01           2.731435D-01
                  7.058300D-02           5.748321D-01
                  3.144900D-02           3.012713D-01
            S    20   1.00
                  4.316265D+06          -4.009367D-07
                  6.463424D+05          -3.189255D-06
                  1.470897D+05          -1.623079D-05
                  4.166152D+04          -7.157920D-05
                  1.359077D+04          -2.463958D-04
                  4.905750D+03          -8.544907D-04
                  1.912746D+03          -2.307593D-03
                  7.926043D+02          -6.728292D-03
                  3.448065D+02          -1.366165D-02
                  1.558999D+02          -3.062240D-02
                  7.223091D+01          -2.631137D-02
                  3.272506D+01          -9.760183D-03
                  1.566762D+01           1.801906D-01
                  7.503483D+00           1.529634D-01
                  3.312223D+00           5.505413D-02
                  1.558471D+00          -9.551364D-01
                  6.839140D-01           2.586813D-01
                  1.467570D-01           1.834049D+00
                  7.058300D-02          -9.333240D-01
                  3.144900D-02          -6.981605D-01
            S    1   1.00
                  3.144900D-02           1.000000D+00
            S    1   1.00
                  1.401000D-02           1.000000D+00
            P    16   1.00
                  1.774569D+04           4.100000D-05
                  4.200721D+03           3.690000D-04
                  1.364429D+03           2.129000D-03
                  5.220806D+02           9.369000D-03
                  2.214595D+02           3.309700D-02
                  1.009096D+02           9.443100D-02
                  4.840115D+01           2.080770D-01
                  2.398536D+01           3.323330D-01
                  1.218250D+01           3.329870D-01
                  6.242298D+00           1.568430D-01
                  3.110944D+00           2.154900D-02
                  1.509958D+00          -2.095000D-03
                  7.108450D-01          -1.739000D-03
                  2.731900D-01          -3.000000D-04
                  1.042330D-01           2.900000D-05
                  3.829100D-02          -1.100000D-05
            P    16   1.00
                  1.774569D+04          -1.500000D-05
                  4.200721D+03          -1.300000D-04
                  1.364429D+03          -7.510000D-04
                  5.220806D+02          -3.329000D-03
                  2.214595D+02          -1.191200D-02
                  1.009096D+02          -3.493300D-02
                  4.840115D+01          -7.998900D-02
                  2.398536D+01          -1.346360D-01
                  1.218250D+01          -1.385980D-01
                  6.242298D+00           3.027800D-02
                  3.110944D+00           3.332160D-01
                  1.509958D+00           4.561530D-01
                  7.108450D-01           2.850510D-01
                  2.731900D-01           4.614400D-02
                  1.042330D-01          -3.249000D-03
                  3.829100D-02           1.357000D-03
            P    16   1.00
                  1.774569D+04           3.000000D-06
                  4.200721D+03           2.900000D-05
                  1.364429D+03           1.650000D-04
                  5.220806D+02           7.340000D-04
                  2.214595D+02           2.626000D-03
                  1.009096D+02           7.725000D-03
                  4.840115D+01           1.773300D-02
                  2.398536D+01           3.005500D-02
                  1.218250D+01           3.109400D-02
                  6.242298D+00          -1.004800D-02
                  3.110944D+00          -8.830600D-02
                  1.509958D+00          -1.298240D-01
                  7.108450D-01          -7.693700D-02
                  2.731900D-01           2.126610D-01
                  1.042330D-01           5.730610D-01
                  3.829100D-02           3.696510D-01
            P    16   1.00
                  1.774569D+04           5.000000D-06
                  4.200721D+03           4.200000D-05
                  1.364429D+03           2.410000D-04
                  5.220806D+02           1.085000D-03
                  2.214595D+02           3.831000D-03
                  1.009096D+02           1.142300D-02
                  4.840115D+01           2.579200D-02
                  2.398536D+01           4.481800D-02
                  1.218250D+01           4.459800D-02
                  6.242298D+00          -1.117700D-02
                  3.110944D+00          -1.381340D-01
                  1.509958D+00          -1.882850D-01
                  7.108450D-01          -1.073990D-01
                  2.731900D-01           4.448630D-01
                  1.042330D-01           6.402390D-01
                  3.829100D-02           6.445700D-02
            P    1   1.00
                  3.829100D-02           1.000000D+00
            P    1   1.00
                  1.407000D-02           1.000000D+00
            D    8   1.00
                  1.133440D+02           3.530000D-03
                  3.364140D+01           2.578400D-02
                  1.233100D+01           9.911900D-02
                  4.994780D+00           2.390730D-01
                  2.072800D+00           3.571990D-01
                  8.307530D-01           3.621880D-01
                  3.091780D-01           2.364610D-01
                  1.001300D-01           6.011800D-02
            D    8   1.00
                  1.133440D+02          -3.890000D-03
                  3.364140D+01          -2.844200D-02
                  1.233100D+01          -1.124290D-01
                  4.994780D+00          -2.742570D-01
                  2.072800D+00          -3.155460D-01
                  8.307530D-01           5.710900D-02
                  3.091780D-01           5.636040D-01
                  1.001300D-01           3.846370D-01
            D    1   1.00
                  1.001300D-01           1.000000D+00
            D    1   1.00
                  3.243000D-02           1.000000D+00
            F    2   1.00
                  3.224300D+00           4.222490D-01
                  7.758000D-01           7.714680D-01
            F    1   1.00
                  2.749000D-01           1.000000D+00
            ****
            -Co     0
            S    20   1.00
                  4.675675D+06           7.979026D-06
                  7.001615D+05           6.204071D-05
                  1.593373D+05           3.261735D-04
                  4.513046D+04           1.375360D-03
                  1.472238D+04           4.979997D-03
                  5.314222D+03           1.596434D-02
                  2.072018D+03           4.552086D-02
                  8.586188D+02           1.127385D-01
                  3.735497D+02           2.268262D-01
                  1.689229D+02           3.203074D-01
                  7.829639D+01           2.374021D-01
                  3.552123D+01           7.477686D-02
                  1.704144D+01           9.581872D-02
                  8.173000D+00           9.649911D-02
                  3.610318D+00           1.623362D-02
                  1.697047D+00          -4.535497D-04
                  7.435320D-01           5.113519D-05
                  1.583440D-01          -4.174508D-05
                  7.503600D-02           4.027577D-05
                  3.309100D-02          -5.789067D-06
            S    20   1.00
                  4.675675D+06          -4.200240D-06
                  7.001615D+05          -3.265831D-05
                  1.593373D+05          -1.717644D-04
                  4.513046D+04          -7.247853D-04
                  1.472238D+04          -2.631462D-03
                  5.314222D+03          -8.489272D-03
                  2.072018D+03          -2.460619D-02
                  8.586188D+02          -6.322059D-02
                  3.735497D+02          -1.381957D-01
                  1.689229D+02          -2.340680D-01
                  7.829639D+01          -2.415002D-01
                  3.552123D+01           3.035312D-02
                  1.704144D+01           5.101341D-01
                  8.173000D+00           4.974939D-01
                  3.610318D+00           8.970746D-02
                  1.697047D+00          -5.941034D-03
                  7.435320D-01           2.175362D-04
                  1.583440D-01          -5.480155D-04
                  7.503600D-02           4.525804D-04
                  3.309100D-02          -1.066748D-04
            S    20   1.00
                  4.675675D+06           9.592692D-07
                  7.001615D+05           7.461851D-06
                  1.593373D+05           3.923137D-05
                  4.513046D+04           1.657706D-04
                  1.472238D+04           6.024335D-04
                  5.314222D+03           1.955217D-03
                  2.072018D+03           5.726326D-03
                  8.586188D+02           1.512984D-02
                  3.735497D+02           3.483973D-02
                  1.689229D+02           6.570351D-02
                  7.829639D+01           7.831503D-02
                  3.552123D+01          -1.877037D-02
                  1.704144D+01          -3.062663D-01
                  8.173000D+00          -4.566429D-01
                  3.610318D+00           1.378169D-01
                  1.697047D+00           7.193676D-01
                  7.435320D-01           3.992579D-01
                  1.583440D-01           2.079933D-02
                  7.503600D-02          -7.820663D-03
                  3.309100D-02           3.533911D-03
            S    20   1.00
                  4.675675D+06          -2.028840D-07
                  7.001615D+05          -1.577580D-06
                  1.593373D+05          -8.298813D-06
                  4.513046D+04          -3.504154D-05
                  1.472238D+04          -1.274655D-04
                  5.314222D+03          -4.132695D-04
                  2.072018D+03          -1.212261D-03
                  8.586188D+02          -3.199318D-03
                  3.735497D+02          -7.390972D-03
                  1.689229D+02          -1.393649D-02
                  7.829639D+01          -1.678575D-02
                  3.552123D+01           4.149856D-03
                  1.704144D+01           6.797646D-02
                  8.173000D+00           1.075807D-01
                  3.610318D+00          -4.166022D-02
                  1.697047D+00          -2.128044D-01
                  7.435320D-01          -2.381360D-01
                  1.583440D-01           2.650788D-01
                  7.503600D-02           5.722774D-01
                  3.309100D-02           3.091556D-01
            S    20   1.00
                  4.675675D+06          -3.863053D-07
                  7.001615D+05          -3.068788D-06
                  1.593373D+05          -1.564826D-05
                  4.513046D+04          -6.883588D-05
                  1.472238D+04          -2.377367D-04
                  5.314222D+03          -8.213173D-04
                  2.072018D+03          -2.229630D-03
                  8.586188D+02          -6.467841D-03
                  3.735497D+02          -1.325463D-02
                  1.689229D+02          -2.946686D-02
                  7.829639D+01          -2.599066D-02
                  3.552123D+01          -8.499807D-03
                  1.704144D+01           1.727316D-01
                  8.173000D+00           1.512189D-01
                  3.610318D+00           3.554509D-02
                  1.697047D+00          -8.829353D-01
                  7.435320D-01           2.143530D-01
                  1.583440D-01           1.711865D+00
                  7.503600D-02          -7.140037D-01
                  3.309100D-02          -8.027727D-01
            S    1   1.00
                  3.309100D-02           1.000000D+00
            S    1   1.00
                  1.459000D-02           1.000000D+00
            P    16   1.00
                  1.926778D+04           4.100000D-05
                  4.560986D+03           3.690000D-04
                  1.481436D+03           2.128000D-03
                  5.668671D+02           9.372000D-03
                  2.404910D+02           3.315500D-02
                  1.096105D+02           9.475200D-02
                  5.259491D+01           2.090930D-01
                  2.608361D+01           3.337220D-01
                  1.326143D+01           3.322080D-01
                  6.799778D+00           1.546130D-01
                  3.393414D+00           2.090200D-02
                  1.648766D+00          -2.024000D-03
                  7.762820D-01          -1.697000D-03
                  2.980030D-01          -2.800000D-04
                  1.136180D-01           2.600000D-05
                  4.162400D-02          -1.000000D-05
            P    16   1.00
                  1.926778D+04          -1.500000D-05
                  4.560986D+03          -1.310000D-04
                  1.481436D+03          -7.580000D-04
                  5.668671D+02          -3.363000D-03
                  2.404910D+02          -1.205400D-02
                  1.096105D+02          -3.542400D-02
                  5.259491D+01          -8.128700D-02
                  2.608361D+01          -1.369080D-01
                  1.326143D+01          -1.390190D-01
                  6.799778D+00           3.546800D-02
                  3.393414D+00           3.384980D-01
                  1.648766D+00           4.544330D-01
                  7.762820D-01           2.797930D-01
                  2.980030D-01           4.477600D-02
                  1.136180D-01          -3.151000D-03
                  4.162400D-02           1.317000D-03
            P    16   1.00
                  1.926778D+04          -3.000000D-06
                  4.560986D+03          -2.900000D-05
                  1.481436D+03          -1.670000D-04
                  5.668671D+02          -7.420000D-04
                  2.404910D+02          -2.662000D-03
                  1.096105D+02          -7.841000D-03
                  5.259491D+01          -1.805100D-02
                  2.608361D+01          -3.058000D-02
                  1.326143D+01          -3.131200D-02
                  6.799778D+00           1.131100D-02
                  3.393414D+00           8.999000D-02
                  1.648766D+00           1.307330D-01
                  7.762820D-01           7.180800D-02
                  2.980030D-01          -2.216580D-01
                  1.136180D-01          -5.710250D-01
                  4.162400D-02          -3.637890D-01
            P    16   1.00
                  1.926778D+04           5.000000D-06
                  4.560986D+03           4.500000D-05
                  1.481436D+03           2.550000D-04
                  5.668671D+02           1.144000D-03
                  2.404910D+02           4.061000D-03
                  1.096105D+02           1.209500D-02
                  5.259491D+01           2.747600D-02
                  2.608361D+01           4.755700D-02
                  1.326143D+01           4.730200D-02
                  6.799778D+00          -1.441800D-02
                  3.393414D+00          -1.500620D-01
                  1.648766D+00          -1.990920D-01
                  7.762820D-01          -7.978300D-02
                  2.980030D-01           4.590350D-01
                  1.136180D-01           6.174950D-01
                  4.162400D-02           6.469000D-02
            P    1   1.00
                  4.162400D-02           1.000000D+00
            P    1   1.00
                  1.525000D-02           1.000000D+00
            D    8   1.00
                  1.262640D+02           3.510000D-03
                  3.752260D+01           2.588400D-02
                  1.380210D+01           1.000580D-01
                  5.609270D+00           2.405470D-01
                  2.333690D+00           3.568430D-01
                  9.364150D-01           3.595790D-01
                  3.482370D-01           2.366290D-01
                  1.123530D-01           6.212900D-02
            D    8   1.00
                  1.262640D+02          -4.067000D-03
                  3.752260D+01          -3.005300D-02
                  1.380210D+01          -1.196200D-01
                  5.609270D+00          -2.915130D-01
                  2.333690D+00          -3.180480D-01
                  9.364150D-01           9.169800D-02
                  3.482370D-01           5.608230D-01
                  1.123530D-01           3.586780D-01
            D    1   1.00
                  1.123530D-01           1.000000D+00
            D    1   1.00
                  3.625000D-02           1.000000D+00
            F    2   1.00
                  3.772400D+00           4.239660D-01
                  9.170000D-01           7.684290D-01
            F    1   1.00
                  3.271500D-01           1.000000D+00
            ****
            -Ni     0
            S    20   1.00
                  5.045991D+06           8.208996D-06
                  7.556142D+05           6.382884D-05
                  1.719568D+05           3.355800D-04
                  4.870479D+04           1.415075D-03
                  1.588841D+04           5.124444D-03
                  5.735123D+03           1.643256D-02
                  2.236137D+03           4.689398D-02
                  9.266468D+02           1.163534D-01
                  4.031743D+02           2.350511D-01
                  1.823476D+02           3.350184D-01
                  8.454885D+01           2.534779D-01
                  3.839634D+01           7.300901D-02
                  1.845859D+01           6.184244D-02
                  8.863548D+00           6.302956D-02
                  3.916227D+00           1.008063D-02
                  1.838870D+00          -2.244528D-04
                  8.043620D-01          -5.932767D-05
                  1.697970D-01          -1.158562D-05
                  7.930600D-02           8.115109D-06
                  3.467700D-02          -1.681699D-06
            S    20   1.00
                  5.045991D+06          -3.657849D-06
                  7.556142D+05          -2.844094D-05
                  1.719568D+05          -1.495928D-04
                  4.870479D+04          -6.313009D-04
                  1.588841D+04          -2.293052D-03
                  5.735123D+03          -7.405123D-03
                  2.236137D+03          -2.152032D-02
                  9.266468D+02          -5.560974D-02
                  4.031743D+02          -1.230176D-01
                  1.823476D+02          -2.130104D-01
                  8.454885D+01          -2.265837D-01
                  3.839634D+01           3.546796D-02
                  1.845859D+01           5.181697D-01
                  8.863548D+00           5.025630D-01
                  3.916227D+00           8.955674D-02
                  1.838870D+00          -7.031311D-03
                  8.043620D-01          -4.339167D-04
                  1.697970D-01          -5.831711D-04
                  7.930600D-02           4.228788D-04
                  3.467700D-02          -1.266714D-04
            S    20   1.00
                  5.045991D+06           9.594149D-07
                  7.556142D+05           7.462614D-06
                  1.719568D+05           3.923843D-05
                  4.870479D+04           1.657868D-04
                  1.588841D+04           6.025905D-04
                  5.735123D+03           1.955662D-03
                  2.236137D+03           5.730391D-03
                  9.266468D+02           1.514756D-02
                  4.031743D+02           3.493499D-02
                  1.823476D+02           6.598072D-02
                  8.454885D+01           7.893083D-02
                  3.839634D+01          -1.906249D-02
                  1.845859D+01          -3.095921D-01
                  8.863548D+00          -4.558610D-01
                  3.916227D+00           1.482931D-01
                  1.838870D+00           7.134039D-01
                  8.043620D-01           3.976063D-01
                  1.697970D-01           2.295523D-02
                  7.930600D-02          -9.151758D-03
                  3.467700D-02           3.875414D-03
            S    20   1.00
                  5.045991D+06          -2.013753D-07
                  7.556142D+05          -1.565832D-06
                  1.719568D+05          -8.237182D-06
                  4.870479D+04          -3.478105D-05
                  1.588841D+04          -1.265265D-04
                  5.735123D+03          -4.102589D-04
                  2.236137D+03          -1.203834D-03
                  9.266468D+02          -3.179062D-03
                  4.031743D+02          -7.353828D-03
                  1.823476D+02          -1.389022D-02
                  8.454885D+01          -1.677875D-02
                  3.839634D+01           4.163378D-03
                  1.845859D+01           6.814703D-02
                  8.863548D+00           1.061029D-01
                  3.916227D+00          -4.339980D-02
                  1.838870D+00          -2.094950D-01
                  8.043620D-01          -2.310271D-01
                  1.697970D-01           2.590532D-01
                  7.930600D-02           5.691426D-01
                  3.467700D-02           3.158125D-01
            S    20   1.00
                  5.045991D+06          -3.924245D-07
                  7.556142D+05          -3.113909D-06
                  1.719568D+05          -1.590447D-05
                  4.870479D+04          -6.981394D-05
                  1.588841D+04          -2.417848D-04
                  5.735123D+03          -8.326195D-04
                  2.236137D+03          -2.270294D-03
                  9.266468D+02          -6.557427D-03
                  4.031743D+02          -1.354288D-02
                  1.823476D+02          -2.989768D-02
                  8.454885D+01          -2.693106D-02
                  3.839634D+01          -7.827693D-03
                  1.845859D+01           1.741667D-01
                  8.863548D+00           1.595468D-01
                  3.916227D+00           1.995550D-02
                  1.838870D+00          -8.897000D-01
                  8.043620D-01           2.486892D-01
                  1.697970D-01           1.613012D+00
                  7.930600D-02          -5.990277D-01
                  3.467700D-02          -8.369078D-01
            S    1   1.00
                  3.467700D-02           1.000000D+00
            S    1   1.00
                  1.516000D-02           1.000000D+00
            P    16   1.00
                  2.102792D+04           4.100000D-05
                  4.977560D+03           3.630000D-04
                  1.616740D+03           2.097000D-03
                  6.186718D+02           9.250000D-03
                  2.625183D+02           3.279600D-02
                  1.196907D+02           9.400400D-02
                  5.746585D+01           2.082800D-01
                  2.852829D+01           3.336540D-01
                  1.452148D+01           3.329040D-01
                  7.453850D+00           1.553720D-01
                  3.723553D+00           2.085900D-02
                  1.809813D+00          -2.440000D-03
                  8.513360D-01          -1.998000D-03
                  3.248140D-01          -3.380000D-04
                  1.195220D-01           3.500000D-05
                  4.236600D-02          -1.200000D-05
            P    16   1.00
                  2.102792D+04          -1.500000D-05
                  4.977560D+03          -1.290000D-04
                  1.616740D+03          -7.490000D-04
                  6.186718D+02          -3.328000D-03
                  2.625183D+02          -1.194700D-02
                  1.196907D+02          -3.524200D-02
                  5.746585D+01          -8.120400D-02
                  2.852829D+01          -1.374930D-01
                  1.452148D+01          -1.392260D-01
                  7.453850D+00           3.601600D-02
                  3.723553D+00           3.391280D-01
                  1.809813D+00           4.504720D-01
                  8.513360D-01           2.817830D-01
                  3.248140D-01           4.789800D-02
                  1.195220D-01          -2.987000D-03
                  4.236600D-02           1.309000D-03
            P    16   1.00
                  2.102792D+04           3.000000D-06
                  4.977560D+03           2.600000D-05
                  1.616740D+03           1.520000D-04
                  6.186718D+02           6.780000D-04
                  2.625183D+02           2.427000D-03
                  1.196907D+02           7.201000D-03
                  5.746585D+01           1.657800D-02
                  2.852829D+01           2.839200D-02
                  1.452148D+01           2.859900D-02
                  7.453850D+00          -1.013200D-02
                  3.723553D+00          -8.291200D-02
                  1.809813D+00          -1.159980D-01
                  8.513360D-01          -7.279500D-02
                  3.248140D-01           1.956400D-01
                  1.195220D-01           5.670990D-01
                  4.236600D-02           3.952700D-01
            P    16   1.00
                  2.102792D+04           6.000000D-06
                  4.977560D+03           5.300000D-05
                  1.616740D+03           3.050000D-04
                  6.186718D+02           1.364000D-03
                  2.625183D+02           4.876000D-03
                  1.196907D+02           1.450300D-02
                  5.746585D+01           3.329600D-02
                  2.852829D+01           5.748200D-02
                  1.452148D+01           5.870200D-02
                  7.453850D+00          -1.990400D-02
                  3.723553D+00          -1.946950D-01
                  1.809813D+00          -2.396130D-01
                  8.513360D-01          -2.232000D-03
                  3.248140D-01           5.214350D-01
                  1.195220D-01           5.455400D-01
                  4.236600D-02           4.362200D-02
            P    1   1.00
                  4.236600D-02           1.000000D+00
            P    1   1.00
                  1.502000D-02           1.000000D+00
            D    8   1.00
                  1.402527D+02           3.376000D-03
                  4.172610D+01           2.514100D-02
                  1.539810D+01           9.774600D-02
                  6.277100D+00           2.347090D-01
                  2.618500D+00           3.469450D-01
                  1.052600D+00           3.510680D-01
                  3.916000D-01           2.502550D-01
                  1.262000D-01           1.000820D-01
            D    8   1.00
                  1.402527D+02          -3.495000D-03
                  4.172610D+01          -2.601500D-02
                  1.539810D+01          -1.038760D-01
                  6.277100D+00          -2.520700D-01
                  2.618500D+00          -2.945800D-01
                  1.052600D+00           1.152000D-03
                  3.916000D-01           4.385890D-01
                  1.262000D-01           5.436260D-01
            D    1   1.00
                  1.262000D-01           1.000000D+00
            D    1   1.00
                  4.067000D-02           1.000000D+00
            F    2   1.00
                  4.345500D+00           4.174290D-01
                  1.068000D+00           7.714830D-01
            F    1   1.00
                  4.083000D-01           1.000000D+00
            ****
            -Cu     0
            S    20   1.00
                  5.430321D+06           7.801026D-06
                  8.131665D+05           6.065666D-05
                  1.850544D+05           3.188964D-04
                  5.241466D+04           1.344687D-03
                  1.709868D+04           4.869050D-03
                  6.171994D+03           1.561013D-02
                  2.406481D+03           4.452077D-02
                  9.972584D+02           1.103111D-01
                  4.339289D+02           2.220342D-01
                  1.962869D+02           3.133739D-01
                  9.104280D+01           2.315121D-01
                  4.138425D+01           7.640920D-02
                  1.993278D+01           1.103818D-01
                  9.581891D+00           1.094372D-01
                  4.234516D+00           1.836311D-02
                  1.985814D+00          -6.043084D-04
                  8.670830D-01           5.092245D-05
                  1.813390D-01          -5.540730D-05
                  8.365700D-02           3.969482D-05
                  3.626700D-02          -1.269538D-05
            S    20   1.00
                  5.430321D+06          -4.404706D-06
                  8.131665D+05          -3.424801D-05
                  1.850544D+05          -1.801238D-04
                  5.241466D+04          -7.600455D-04
                  1.709868D+04          -2.759348D-03
                  6.171994D+03          -8.900970D-03
                  2.406481D+03          -2.579378D-02
                  9.972584D+02          -6.623861D-02
                  4.339289D+02          -1.445927D-01
                  1.962869D+02          -2.440110D-01
                  9.104280D+01          -2.504837D-01
                  4.138425D+01           2.852577D-02
                  1.993278D+01           5.115874D-01
                  9.581891D+00           4.928061D-01
                  4.234516D+00           8.788437D-02
                  1.985814D+00          -5.820281D-03
                  8.670830D-01           2.013508D-04
                  1.813390D-01          -5.182553D-04
                  8.365700D-02           3.731503D-04
                  3.626700D-02          -1.193171D-04
            S    20   1.00
                  5.430321D+06           9.704682D-07
                  8.131665D+05           7.549245D-06
                  1.850544D+05           3.968892D-05
                  5.241466D+04           1.677200D-04
                  1.709868D+04           6.095101D-04
                  6.171994D+03           1.978846D-03
                  2.406481D+03           5.798049D-03
                  9.972584D+02           1.534158D-02
                  4.339289D+02           3.540484D-02
                  1.962869D+02           6.702098D-02
                  9.104280D+01           8.026945D-02
                  4.138425D+01          -1.927231D-02
                  1.993278D+01          -3.160129D-01
                  9.581891D+00          -4.573162D-01
                  4.234516D+00           1.550841D-01
                  1.985814D+00           7.202872D-01
                  8.670830D-01           3.885122D-01
                  1.813390D-01           1.924326D-02
                  8.365700D-02          -7.103807D-03
                  3.626700D-02           3.272906D-03
            S    20   1.00
                  5.430321D+06          -1.959354D-07
                  8.131665D+05          -1.523472D-06
                  1.850544D+05          -8.014808D-06
                  5.241466D+04          -3.383992D-05
                  1.709868D+04          -1.231191D-04
                  6.171994D+03          -3.992085D-04
                  2.406481D+03          -1.171900D-03
                  9.972584D+02          -3.096141D-03
                  4.339289D+02          -7.171993D-03
                  1.962869D+02          -1.356621D-02
                  9.104280D+01          -1.643989D-02
                  4.138425D+01           4.107628D-03
                  1.993278D+01           6.693964D-02
                  9.581891D+00           1.028221D-01
                  4.234516D+00          -4.422945D-02
                  1.985814D+00          -2.031191D-01
                  8.670830D-01          -2.230022D-01
                  1.813390D-01           2.517975D-01
                  8.365700D-02           5.650091D-01
                  3.626700D-02           3.247243D-01
            S    20   1.00
                  5.430321D+06          -3.532229D-07
                  8.131665D+05          -2.798812D-06
                  1.850544D+05          -1.432517D-05
                  5.241466D+04          -6.270946D-05
                  1.709868D+04          -2.179490D-04
                  6.171994D+03          -7.474316D-04
                  2.406481D+03          -2.049271D-03
                  9.972584D+02          -5.885203D-03
                  4.339289D+02          -1.226885D-02
                  1.962869D+02          -2.683147D-02
                  9.104280D+01          -2.479261D-02
                  4.138425D+01          -5.984746D-03
                  1.993278D+01           1.557124D-01
                  9.581891D+00           1.436683D-01
                  4.234516D+00           8.374103D-03
                  1.985814D+00          -7.460711D-01
                  8.670830D-01           1.244367D-01
                  1.813390D-01           1.510110D+00
                  8.365700D-02          -3.477122D-01
                  3.626700D-02          -9.774169D-01
            S    1   1.00
                  3.626700D-02           1.000000D+00
            S    1   1.00
                  1.572000D-02           1.000000D+00
            P    16   1.00
                  2.276057D+04           4.000000D-05
                  5.387679D+03           3.610000D-04
                  1.749945D+03           2.083000D-03
                  6.696653D+02           9.197000D-03
                  2.841948D+02           3.266000D-02
                  1.296077D+02           9.379500D-02
                  6.225415D+01           2.082740D-01
                  3.092964D+01           3.339930D-01
                  1.575827D+01           3.324930D-01
                  8.094211D+00           1.547280D-01
                  4.046921D+00           2.127100D-02
                  1.967869D+00          -1.690000D-03
                  9.252950D-01          -1.516000D-03
                  3.529920D-01          -2.420000D-04
                  1.273070D-01           2.300000D-05
                  4.435600D-02          -9.000000D-06
            P    16   1.00
                  2.276057D+04          -1.500000D-05
                  5.387679D+03          -1.310000D-04
                  1.749945D+03          -7.550000D-04
                  6.696653D+02          -3.359000D-03
                  2.841948D+02          -1.208100D-02
                  1.296077D+02          -3.570300D-02
                  6.225415D+01          -8.250200D-02
                  3.092964D+01          -1.398900D-01
                  1.575827D+01          -1.407290D-01
                  8.094211D+00           3.876600D-02
                  4.046921D+00           3.426950D-01
                  1.967869D+00           4.523100D-01
                  9.252950D-01           2.770540D-01
                  3.529920D-01           4.388500D-02
                  1.273070D-01          -2.802000D-03
                  4.435600D-02           1.152000D-03
            P    16   1.00
                  2.276057D+04           3.000000D-06
                  5.387679D+03           2.500000D-05
                  1.749945D+03           1.470000D-04
                  6.696653D+02           6.560000D-04
                  2.841948D+02           2.351000D-03
                  1.296077D+02           7.004000D-03
                  6.225415D+01           1.613100D-02
                  3.092964D+01           2.777000D-02
                  1.575827D+01           2.756700D-02
                  8.094211D+00          -1.011500D-02
                  4.046921D+00          -8.100900D-02
                  1.967869D+00          -1.104090D-01
                  9.252950D-01          -7.173200D-02
                  3.529920D-01           1.879300D-01
                  1.273070D-01           5.646290D-01
                  4.435600D-02           4.070000D-01
            P    16   1.00
                  2.276057D+04           5.000000D-06
                  5.387679D+03           4.900000D-05
                  1.749945D+03           2.780000D-04
                  6.696653D+02           1.253000D-03
                  2.841948D+02           4.447000D-03
                  1.296077D+02           1.337000D-02
                  6.225415D+01           3.046900D-02
                  3.092964D+01           5.344700D-02
                  1.575827D+01           5.263900D-02
                  8.094211D+00          -1.688100D-02
                  4.046921D+00          -1.794480D-01
                  1.967869D+00          -2.095880D-01
                  9.252950D-01          -3.963300D-02
                  3.529920D-01           5.021300D-01
                  1.273070D-01           5.811110D-01
                  4.435600D-02           4.566600D-02
            P    1   1.00
                  4.435600D-02           1.000000D+00
            P    1   1.00
                  1.545000D-02           1.000000D+00
            D    8   1.00
                  1.738970D+02           2.700000D-03
                  5.188690D+01           2.090900D-02
                  1.934190D+01           8.440800D-02
                  7.975720D+00           2.139990D-01
                  3.398230D+00           3.359800D-01
                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
                  1.901990D-01           1.039720D-01
            D    8   1.00
                  1.738970D+02          -3.363000D-03
                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
                  7.975720D+00          -2.822170D-01
                  3.398230D+00          -3.471900D-01
                  1.409320D+00           2.671100D-02
                  5.488580D-01           4.920470D-01
                  1.901990D-01           4.384220D-01
            D    1   1.00
                  1.901990D-01           1.000000D+00
            D    1   1.00
                  6.591000D-02           1.000000D+00
            F    2   1.00
                  5.028600D+00           4.242800D-01
                  1.259400D+00           7.630250D-01
            F    1   1.00
                  4.617200D-01           1.000000D+00
            ****
            -Zn     0
            S    20   1.00
                  5.820021D+06           8.549241D-06
                  8.715234D+05           6.647410D-05
                  1.983350D+05           3.494962D-04
                  5.617631D+04           1.473832D-03
                  1.832582D+04           5.338330D-03
                  6.614955D+03           1.712708D-02
                  2.579199D+03           4.894085D-02
                  1.068849D+03           1.217934D-01
                  4.651045D+02           2.476589D-01
                  2.104130D+02           3.582431D-01
                  9.761629D+01           2.798174D-01
                  4.438020D+01           6.857491D-02
                  2.142308D+01          -1.311092D-03
                  1.030891D+01           1.914001D-03
                  4.553645D+00          -8.759220D-04
                  2.132821D+00           3.740096D-04
                  9.296970D-01          -1.401399D-04
                  1.921470D-01           4.757132D-05
                  8.759500D-02          -3.642711D-05
                  3.770200D-02           1.153248D-05
            S    20   1.00
                  5.820021D+06          -2.640069D-06
                  8.715234D+05          -2.052720D-05
                  1.983350D+05          -1.079859D-04
                  5.617631D+04          -4.558577D-04
                  1.832582D+04          -1.657758D-03
                  6.614955D+03          -5.368492D-03
                  2.579199D+03          -1.571249D-02
                  1.068849D+03          -4.122558D-02
                  4.651045D+02          -9.406459D-02
                  2.104130D+02          -1.719954D-01
                  9.761629D+01          -1.958523D-01
                  4.438020D+01           4.532907D-02
                  2.142308D+01           5.244442D-01
                  1.030891D+01           5.006142D-01
                  4.553645D+00           8.945527D-02
                  2.132821D+00          -2.146262D-03
                  9.296970D-01           2.112113D-03
                  1.921470D-01          -4.133980D-04
                  8.759500D-02           3.209752D-04
                  3.770200D-02          -1.016140D-04
            S    20   1.00
                  5.820021D+06           9.967103D-07
                  8.715234D+05           7.754163D-06
                  1.983350D+05           4.076019D-05
                  5.617631D+04           1.722811D-04
                  1.832582D+04           6.259370D-04
                  6.614955D+03           2.032855D-03
                  2.579199D+03           5.954646D-03
                  1.068849D+03           1.576640D-02
                  4.651045D+02           3.637638D-02
                  2.104130D+02           6.892343D-02
                  9.761629D+01           8.238093D-02
                  4.438020D+01          -2.011360D-02
                  2.142308D+01          -3.252526D-01
                  1.030891D+01          -4.602899D-01
                  4.553645D+00           1.635546D-01
                  2.132821D+00           7.297118D-01
                  9.296970D-01           3.769751D-01
                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
                  3.770200D-02           1.766214D-03
            S    20   1.00
                  5.820021D+06           1.995818D-07
                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
                  5.617631D+04           3.450747D-05
                  1.832582D+04           1.253275D-04
                  6.614955D+03           4.072990D-04
                  2.579199D+03           1.192734D-03
                  1.068849D+03           3.163140D-03
                  4.651045D+02           7.303942D-03
                  2.104130D+02           1.391279D-02
                  9.761629D+01           1.670620D-02
                  4.438020D+01          -4.035586D-03
                  2.142308D+01          -6.968861D-02
                  1.030891D+01          -1.030105D-01
                  4.553645D+00           4.471442D-02
                  2.132821D+00           2.150027D-01
                  9.296970D-01           2.220163D-01
                  1.921470D-01          -3.114776D-01
                  8.759500D-02          -5.693429D-01
                  3.770200D-02          -2.678440D-01
            S    20   1.00
                  5.820021D+06          -5.435910D-07
                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
                  5.617631D+04          -9.747392D-05
                  1.832582D+04          -3.331615D-04
                  6.614955D+03          -1.166192D-03
                  2.579199D+03          -3.119308D-03
                  1.068849D+03          -9.239504D-03
                  4.651045D+02          -1.855471D-02
                  2.104130D+02          -4.281189D-02
                  9.761629D+01          -3.571095D-02
                  4.438020D+01          -1.638350D-02
                  2.142308D+01           2.644664D-01
                  1.030891D+01           2.086588D-01
                  4.553645D+00          -1.774382D-02
                  2.132821D+00          -1.353873D+00
                  9.296970D-01           8.182926D-01
                  1.921470D-01           1.695036D+00
                  8.759500D-02          -1.388656D+00
                  3.770200D-02          -2.188900D-01
            S    1   1.00
                  3.770200D-02           1.000000D+00
            S    1   1.00
                  1.623000D-02           1.000000D+00
            P    16   1.00
                  2.441198D+04          -1.500000D-05
                  5.778518D+03          -1.350000D-04
                  1.876862D+03          -7.820000D-04
                  7.182361D+02          -3.478000D-03
                  3.048327D+02          -1.252000D-02
                  1.390453D+02          -3.701600D-02
                  6.680417D+01          -8.555900D-02
                  3.320699D+01          -1.447180D-01
                  1.692816D+01          -1.434420D-01
                  8.696229D+00           4.359500D-02
                  4.350510D+00           3.488880D-01
                  2.116523D+00           4.538650D-01
                  9.953870D-01           2.685940D-01
                  3.781120D-01           3.886800D-02
                  1.345790D-01          -2.492000D-03
                  4.628200D-02           1.014000D-03
            P    16   1.00
                  2.441198D+04           3.000000D-06
                  5.778518D+03           2.500000D-05
                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
                  3.048327D+02           2.311000D-03
                  1.390453D+02           6.898000D-03
                  6.680417D+01           1.588200D-02
                  3.320699D+01           2.735000D-02
                  1.692816D+01           2.662100D-02
                  8.696229D+00          -1.085800D-02
                  4.350510D+00          -7.985300D-02
                  2.116523D+00          -1.061270D-01
                  9.953870D-01          -6.888300D-02
                  3.781120D-01           1.843850D-01
                  1.345790D-01           5.617880D-01
                  4.628200D-02           4.144160D-01
            P    16   1.00
                  2.441198D+04           5.000000D-06
                  5.778518D+03           4.200000D-05
                  1.876862D+03           2.380000D-04
                  7.182361D+02           1.088000D-03
                  3.048327D+02           3.821000D-03
                  1.390453D+02           1.164400D-02
                  6.680417D+01           2.616700D-02
                  3.320699D+01           4.675000D-02
                  1.692816D+01           4.330900D-02
                  8.696229D+00          -1.342900D-02
                  4.350510D+00          -1.538970D-01
                  2.116523D+00          -1.674130D-01
                  9.953870D-01          -8.499500D-02
                  3.781120D-01           4.508130D-01
                  1.345790D-01           6.408690D-01
                  4.628200D-02           5.417200D-02
            P    15   1.00
                  2.441198D+04           4.100000D-05
                  5.778518D+03           3.610000D-04
                  1.876862D+03           2.088000D-03
                  7.182361D+02           9.221000D-03
                  3.048327D+02           3.277300D-02
                  1.390453D+02           9.417900D-02
                  6.680417D+01           2.091320D-01
                  3.320699D+01           3.345690D-01
                  1.692816D+01           3.303590D-01
                  8.696229D+00           1.523470D-01
                  4.350510D+00           2.298400D-02
                  2.116523D+00           1.607000D-03
                  9.953870D-01           4.680000D-04
                  3.781120D-01           6.600000D-05
                  1.345790D-01          -2.000000D-06
            P    1   1.00
                  4.628200D-02           1.000000D+00
            P    1   1.00
                  1.592000D-02           1.000000D+00
            D    8   1.00
                  2.056177D+02           2.342000D-03
                  6.144981D+01           1.860600D-02
                  2.305689D+01           7.710200D-02
                  9.577739D+00           2.020260D-01
                  4.133734D+00           3.294540D-01
                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
            D    8   1.00
                  2.056177D+02           3.279000D-03
                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
                  1.747518D+00          -5.837500D-02
                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
            D    1   1.00
                  2.516080D-01           1.000000D+00
            D    1   1.00
                  9.049000D-02           1.000000D+00
            F    2   1.00
                  5.734400D+00           4.311320D-01
                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
            S    14   1.00
                  4.851300D+05           2.068000D-04
                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
                  1.529100D+03           1.111699D-01
                  5.518100D+02           2.753930D-01
                  2.151800D+02           4.212628D-01
                  8.817400D+01           2.738906D-01
                  2.715400D+01           2.837200D-02
                  1.150300D+01          -6.293100D-03
                  3.301800D+00           2.060600D-03
                  1.331400D+00          -9.269000D-04
                  1.931600D-01           2.273000D-04
                  7.089500D-02          -1.063000D-04
            S    14   1.00
                  4.851300D+05          -6.430000D-05
                  7.271900D+04          -4.954000D-04
                  1.655200D+04          -2.620800D-03
                  4.687800D+03          -1.068390D-02
                  1.529100D+03          -3.741230D-02
                  5.518100D+02          -1.009636D-01
                  2.151800D+02          -2.145141D-01
                  8.817400D+01          -1.752297D-01
                  2.715400D+01           4.831599D-01
                  1.150300D+01           6.323677D-01
                  3.301800D+00           6.849420D-02
                  1.331400D+00          -1.187120D-02
                  1.931600D-01           2.665200D-03
                  7.089500D-02          -1.225100D-03
            S    14   1.00
                  4.851300D+05           2.450000D-05
                  7.271900D+04           1.895000D-04
                  1.655200D+04           9.964000D-04
                  4.687800D+03           4.108200D-03
                  1.529100D+03           1.429380D-02
                  5.518100D+02           3.980340D-02
                  2.151800D+02           8.559400D-02
                  8.817400D+01           7.963050D-02
                  2.715400D+01          -2.939107D-01
                  1.150300D+01          -5.263914D-01
                  3.301800D+00           5.864249D-01
                  1.331400D+00           6.726347D-01
                  1.931600D-01           2.761230D-02
                  7.089500D-02          -9.365100D-03
            S    14   1.00
                  4.851300D+05          -5.700000D-06
                  7.271900D+04          -4.400000D-05
                  1.655200D+04          -2.305000D-04
                  4.687800D+03          -9.544000D-04
                  1.529100D+03          -3.305500D-03
                  5.518100D+02          -9.288800D-03
                  2.151800D+02          -1.986440D-02
                  8.817400D+01          -1.908880D-02
                  2.715400D+01           7.323560D-02
                  1.150300D+01           1.341526D-01
                  3.301800D+00          -1.831929D-01
                  1.331400D+00          -3.571308D-01
                  1.931600D-01           6.246013D-01
                  7.089500D-02           5.238430D-01
            S    1   1.00
                  7.089500D-02           1.000000D+00
            S    1   1.00
                  0.0243480              1.0000000
            P    11   1.00
                  3.248600D+03           1.526000D-03
                  7.699700D+02           1.274860D-02
                  2.482000D+02           6.337420D-02
                  9.336400D+01           2.065775D-01
                  3.825100D+01           4.092963D-01
                  1.642200D+01           3.919183D-01
                  6.791800D+00           1.029441D-01
                  2.833600D+00          -7.203000D-04
                  1.106200D+00           2.095000D-03
                  2.225000D-01          -3.290000D-04
                  6.177200D-02           1.162000D-04
            P    11   1.00
                  3.248600D+03          -5.803000D-04
                  7.699700D+02          -4.864700D-03
                  2.482000D+02          -2.483940D-02
                  9.336400D+01          -8.417590D-02
                  3.825100D+01          -1.800885D-01
                  1.642200D+01          -1.585555D-01
                  6.791800D+00           2.355376D-01
                  2.833600D+00           5.820587D-01
                  1.106200D+00           3.366619D-01
                  2.225000D-01           1.719120D-02
                  6.177200D-02          -3.326500D-03
            P    11   1.00
                  3.248600D+03           9.500000D-05
                  7.699700D+02           7.832000D-04
                  2.482000D+02           4.085500D-03
                  9.336400D+01           1.359870D-02
                  3.825100D+01           3.026950D-02
                  1.642200D+01           2.417900D-02
                  6.791800D+00          -4.237770D-02
                  2.833600D+00          -1.265661D-01
                  1.106200D+00          -4.994440D-02
                  2.225000D-01           4.494199D-01
                  6.177200D-02           6.718899D-01
            P    1   1.00
                  6.177200D-02           1.000000D+00
            P    1   1.00
                  0.0151640              1.0000000
            D    5   1.00
                  6.533700D+01           2.738250D-02
                  1.849700D+01           1.510805D-01
                  6.315000D+00           3.749217D-01
                  2.163500D+00           4.750799D-01
                  6.667500D-01           2.982750D-01
            D    1   1.00
                  1.884000D-01           1.000000D+00
            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
            S    14   1.00
                  5.218000D+05           2.045000D-04
                  7.821400D+04           1.586800D-03
                  1.780300D+04           8.248000D-03
                  5.041900D+03           3.366490D-02
                  1.644500D+03           1.101249D-01
                  5.934300D+02           2.735607D-01
                  2.313600D+02           4.210670D-01
                  9.476200D+01           2.766791D-01
                  2.927400D+01           2.921800D-02
                  1.245000D+01          -6.590300D-03
                  3.646300D+00           2.243000D-03
                  1.502500D+00          -1.038200D-03
                  2.450300D-01           2.695000D-04
                  9.159400D-02          -1.228000D-04
            S    14   1.00
                  5.218000D+05          -6.380000D-05
                  7.821400D+04          -4.916000D-04
                  1.780300D+04          -2.600200D-03
                  5.041900D+03          -1.060800D-02
                  1.644500D+03          -3.716020D-02
                  5.934300D+02          -1.005790D-01
                  2.313600D+02          -2.143977D-01
                  9.476200D+01          -1.782617D-01
                  2.927400D+01           4.777404D-01
                  1.245000D+01           6.355983D-01
                  3.646300D+00           7.221740D-02
                  1.502500D+00          -1.272650D-02
                  2.450300D-01           2.960800D-03
                  9.159400D-02          -1.329200D-03
            S    14   1.00
                  5.218000D+05           2.460000D-05
                  7.821400D+04           1.900000D-04
                  1.780300D+04           9.993000D-04
                  5.041900D+03           4.120000D-03
                  1.644500D+03           1.435570D-02
                  5.934300D+02           4.003750D-02
                  2.313600D+02           8.657940D-02
                  9.476200D+01           8.158610D-02
                  2.927400D+01          -2.934770D-01
                  1.245000D+01          -5.367983D-01
                  3.646300D+00           5.637985D-01
                  1.502500D+00           6.947182D-01
                  2.450300D-01           3.157300D-02
                  9.159400D-02          -9.894900D-03
            S    14   1.00
                  5.218000D+05          -6.300000D-06
                  7.821400D+04          -4.860000D-05
                  1.780300D+04          -2.553000D-04
                  5.041900D+03          -1.056000D-03
                  1.644500D+03          -3.667400D-03
                  5.934300D+02          -1.030530D-02
                  2.313600D+02          -2.222000D-02
                  9.476200D+01          -2.152750D-02
                  2.927400D+01           8.067520D-02
                  1.245000D+01           1.524958D-01
                  3.646300D+00          -1.980528D-01
                  1.502500D+00          -4.073954D-01
                  2.450300D-01           6.477288D-01
                  9.159400D-02           5.222033D-01
            S    1   1.00
                  9.159400D-02           1.000000D+00
            S    1   1.00
                  0.0339610              1.0000000
            P    11   1.00
                  3.568100D+03           1.459100D-03
                  8.457200D+02           1.221760D-02
                  2.727400D+02           6.104900D-02
                  1.026800D+02           2.008039D-01
                  4.214800D+01           4.038942D-01
                  1.814900D+01           3.970027D-01
                  7.593400D+00           1.105481D-01
                  3.196400D+00           7.680000D-05
                  1.274300D+00           2.126300D-03
                  2.825800D-01          -3.744000D-04
                  8.409000D-02           1.321000D-04
            P    11   1.00
                  3.568100D+03          -5.630000D-04
                  8.457200D+02          -4.735400D-03
                  2.727400D+02          -2.426430D-02
                  1.026800D+02          -8.309000D-02
                  4.214800D+01          -1.800247D-01
                  1.814900D+01          -1.663295D-01
                  7.593400D+00           2.193717D-01
                  3.196400D+00           5.820239D-01
                  1.274300D+00           3.477720D-01
                  2.825800D-01           1.924550D-02
                  8.409000D-02          -3.482500D-03
            P    11   1.00
                  3.568100D+03           1.115000D-04
                  8.457200D+02           9.212000D-04
                  2.727400D+02           4.827300D-03
                  1.026800D+02           1.622720D-02
                  4.214800D+01           3.663540D-02
                  1.814900D+01           3.078670D-02
                  7.593400D+00          -4.806430D-02
                  3.196400D+00          -1.559804D-01
                  1.274300D+00          -6.323700D-02
                  2.825800D-01           5.040819D-01
                  8.409000D-02           6.182200D-01
            P    1   1.00
                  8.409000D-02           1.000000D+00
            P    1   1.00
                  0.0239450              1.0000000
            D    5   1.00
                  7.476200D+01           2.576840D-02
                  2.130200D+01           1.454421D-01
                  7.343600D+00           3.713721D-01
                  2.565100D+00           4.800002D-01
                  8.197000D-01           2.896800D-01
            D    1   1.00
                  2.470000D-01           1.000000D+00
            D    1   1.00
                  0.0771000              1.0000000
            ****
            -As     0
            S    14   1.00
                  5.595838D+05           2.024000D-04
                  8.387933D+04           1.570900D-03
                  1.909267D+04           8.166200D-03
                  5.407392D+03           3.333990D-02
                  1.763756D+03           1.091726D-01
                  6.364567D+02           2.718853D-01
                  2.480884D+02           4.208509D-01
                  1.015785D+02           2.792257D-01
                  3.147551D+01           3.003010D-02
                  1.343728D+01          -6.880400D-03
                  4.008690D+00           2.424000D-03
                  1.684929D+00          -1.149100D-03
                  3.000190D-01           3.095000D-04
                  1.135870D-01          -1.377000D-04
            S    14   1.00
                  5.595838D+05          -6.340000D-05
                  8.387933D+04          -4.883000D-04
                  1.909267D+04          -2.582100D-03
                  5.407392D+03          -1.054020D-02
                  1.763756D+03          -3.693250D-02
                  6.364567D+02          -1.002355D-01
                  2.480884D+02          -2.142948D-01
                  1.015785D+02          -1.810526D-01
                  3.147551D+01           4.725410D-01
                  1.343728D+01           6.386194D-01
                  4.008690D+00           7.581070D-02
                  1.684929D+00          -1.352780D-02
                  3.000190D-01           3.197000D-03
                  1.135870D-01          -1.405600D-03
            S    14   1.00
                  5.595838D+05           2.460000D-05
                  8.387933D+04           1.907000D-04
                  1.909267D+04           1.003100D-03
                  5.407392D+03           4.135300D-03
                  1.763756D+03           1.442590D-02
                  6.364567D+02           4.029620D-02
                  2.480884D+02           8.756700D-02
                  1.015785D+02           8.351780D-02
                  3.147551D+01          -2.932935D-01
                  1.343728D+01          -5.470520D-01
                  4.008690D+00           5.438738D-01
                  1.684929D+00           7.143591D-01
                  3.000190D-01           3.534430D-02
                  1.135870D-01          -1.028920D-02
            S    14   1.00
                  5.595838D+05          -6.800000D-06
                  8.387933D+04          -5.250000D-05
                  1.909267D+04          -2.756000D-04
                  5.407392D+03          -1.138900D-03
                  1.763756D+03          -3.964600D-03
                  6.364567D+02          -1.114230D-02
                  2.480884D+02          -2.419910D-02
                  1.015785D+02          -2.363390D-02
                  3.147551D+01           8.663170D-02
                  1.343728D+01           1.685839D-01
                  4.008690D+00          -2.091425D-01
                  1.684929D+00          -4.500918D-01
                  3.000190D-01           6.603978D-01
                  1.135870D-01           5.284152D-01
            S    1   1.00
                  1.135870D-01           1.000000D+00
            S    1   1.00
                  0.0411520              1.0000000
            P    11   1.00
                  3.886356D+03           1.409700D-03
                  9.212020D+02           1.182770D-02
                  2.971932D+02           5.932800D-02
                  1.119751D+02           1.965115D-01
                  4.603462D+01           3.997891D-01
                  1.987419D+01           4.004653D-01
                  8.386088D+00           1.164196D-01
                  3.558728D+00           6.918000D-04
                  1.447282D+00           2.163300D-03
                  3.477790D-01          -4.150000D-04
                  1.076990D-01           1.452000D-04
            P    11   1.00
                  3.886356D+03          -5.519000D-04
                  9.212020D+02          -4.655000D-03
                  2.971932D+02          -2.391760D-02
                  1.119751D+02          -8.256270D-02
                  4.603462D+01          -1.806791D-01
                  1.987419D+01          -1.724848D-01
                  8.386088D+00           2.086700D-01
                  3.558728D+00           5.823622D-01
                  1.447282D+00           3.537465D-01
                  3.477790D-01           2.064390D-02
                  1.076990D-01          -3.638200D-03
            P    11   1.00
                  3.886356D+03           1.236000D-04
                  9.212020D+02           1.024000D-03
                  2.971932D+02           5.380500D-03
                  1.119751D+02           1.824430D-02
                  4.603462D+01           4.159790D-02
                  1.987419D+01           3.629980D-02
                  8.386088D+00          -5.235690D-02
                  3.558728D+00          -1.791667D-01
                  1.447282D+00          -7.404770D-02
                  3.477790D-01           5.358094D-01
                  1.076990D-01           5.888104D-01
            P    1   1.00
                  1.076990D-01           1.000000D+00
            P    1   1.00
                  0.0312680              1.0000000
            D    5   1.00
                  8.442423D+01           2.452880D-02
                  2.418159D+01           1.411340D-01
                  8.401777D+00           3.687579D-01
                  2.980502D+00           4.840626D-01
                  9.790030D-01           2.824434D-01
            D    1   1.00
                  3.098000D-01           1.000000D+00
            D    1   1.00
                  0.1078000              1.0000000
            ****
            -Se     0
            S    14   1.00
                  5.989900D+05           2.004000D-04
                  8.978300D+04           1.555400D-03
                  2.043500D+04           8.087200D-03
                  5.786900D+03           3.303440D-02
                  1.887300D+03           1.082924D-01
                  6.809700D+02           2.703361D-01
                  2.653900D+02           4.206236D-01
                  1.086300D+02           2.815922D-01
                  3.376000D+01           3.081100D-02
                  1.446500D+01          -7.161700D-03
                  4.389000D+00           2.602200D-03
                  1.878300D+00          -1.258300D-03
                  3.585900D-01           3.465000D-04
                  1.364900D-01          -1.503000D-04
            S    14   1.00
                  5.989900D+05          -6.290000D-05
                  8.978300D+04          -4.850000D-04
                  2.043500D+04          -2.564400D-03
                  5.786900D+03          -1.047610D-02
                  1.887300D+03          -3.672230D-02
                  6.809700D+02          -9.992250D-02
                  2.653900D+02          -2.141973D-01
                  1.086300D+02          -1.836593D-01
                  3.376000D+01           4.675454D-01
                  1.446500D+01           6.414740D-01
                  4.389000D+00           7.925690D-02
                  1.878300D+00          -1.426970D-02
                  3.585900D-01           3.379200D-03
                  1.364900D-01          -1.453700D-03
            S    14   1.00
                  5.989900D+05           2.470000D-05
                  8.978300D+04           1.913000D-04
                  2.043500D+04           1.006800D-03
                  5.786900D+03           4.151400D-03
                  1.887300D+03           1.449910D-02
                  6.809700D+02           4.056580D-02
                  2.653900D+02           8.853640D-02
                  1.086300D+02           8.542120D-02
                  3.376000D+01          -2.932581D-01
                  1.446500D+01          -5.570727D-01
                  4.389000D+00           5.261436D-01
                  1.878300D+00           7.320371D-01
                  3.585900D-01           3.882460D-02
                  1.364900D-01          -1.050360D-02
            S    14   1.00
                  5.989900D+05          -7.200000D-06
                  8.978300D+04          -5.590000D-05
                  2.043500D+04          -2.938000D-04
                  5.786900D+03          -1.213600D-03
                  1.887300D+03          -4.234000D-03
                  6.809700D+02          -1.190350D-02
                  2.653900D+02          -2.602060D-02
                  1.086300D+02          -2.561480D-02
                  3.376000D+01           9.194270D-02
                  1.446500D+01           1.838700D-01
                  4.389000D+00          -2.188461D-01
                  1.878300D+00          -4.896524D-01
                  3.585900D-01           6.775818D-01
                  1.364900D-01           5.296721D-01
            S    1   1.00
                  1.364900D-01           1.000000D+00
            S    1   1.00
                  0.0487470              1.0000000
            P    11   1.00
                  4.135600D+03           1.412700D-03
                  9.803400D+02           1.185880D-02
                  3.163500D+02           5.951530D-02
                  1.192500D+02           1.972201D-01
                  4.906800D+01           4.007439D-01
                  2.121200D+01           3.994740D-01
                  8.946200D+00           1.153364D-01
                  3.823600D+00           2.219000D-04
                  1.588300D+00           2.283800D-03
                  4.096900D-01          -4.756000D-04
                  1.245900D-01           1.516000D-04
            P    11   1.00
                  4.135600D+03          -5.610000D-04
                  9.803400D+02          -4.734000D-03
                  3.163500D+02          -2.435040D-02
                  1.192500D+02          -8.410710D-02
                  4.906800D+01          -1.841384D-01
                  2.121200D+01          -1.735004D-01
                  8.946200D+00           2.167263D-01
                  3.823600D+00           5.850099D-01
                  1.588300D+00           3.416816D-01
                  4.096900D-01           1.991250D-02
                  1.245900D-01          -2.613100D-03
            P    11   1.00
                  4.135600D+03           1.366000D-04
                  9.803400D+02           1.130800D-03
                  3.163500D+02           5.958100D-03
                  1.192500D+02           2.018660D-02
                  4.906800D+01           4.619390D-02
                  2.121200D+01           3.940500D-02
                  8.946200D+00          -5.928460D-02
                  3.823600D+00          -2.014663D-01
                  1.588300D+00          -6.878210D-02
                  4.096900D-01           5.595944D-01
                  1.245900D-01           5.709784D-01
            P    1   1.00
                  1.245900D-01           1.000000D+00
            P    1   1.00
                  0.0354920              1.0000000
            D    5   1.00
                  9.447200D+01           2.349820D-02
                  2.718000D+01           1.375183D-01
                  9.506800D+00           3.664824D-01
                  3.416800D+00           4.874717D-01
                  1.147900D+00           2.765769D-01
            D    1   1.00
                  3.682000D-01           1.000000D+00
            D    1   1.00
                  0.1283000              1.0000000
            ****
            -Br     0
            S    14   1.00
                  6.401000D+05           1.984000D-04
                  9.593800D+04           1.540000D-03
                  2.183300D+04           8.009600D-03
                  6.181900D+03           3.273410D-02
                  2.015700D+03           1.074480D-01
                  7.271000D+02           2.688946D-01
                  2.832800D+02           4.204411D-01
                  1.159100D+02           2.838041D-01
                  3.612400D+01           3.154550D-02
                  1.553200D+01          -7.426800D-03
                  4.785700D+00           2.772800D-03
                  2.081700D+00          -1.363500D-03
                  4.202800D-01           3.812000D-04
                  1.606900D-01          -1.615000D-04
            S    14   1.00
                  6.401000D+05          -6.250000D-05
                  9.593800D+04          -4.816000D-04
                  2.183300D+04          -2.546600D-03
                  6.181900D+03          -1.041120D-02
                  2.015700D+03          -3.651790D-02
                  7.271000D+02          -9.962950D-02
                  2.832800D+02          -2.141310D-01
                  1.159100D+02          -1.860911D-01
                  3.612400D+01           4.628261D-01
                  1.553200D+01           6.441141D-01
                  4.785700D+00           8.255020D-02
                  2.081700D+00          -1.496940D-02
                  4.202800D-01           3.528800D-03
                  1.606900D-01          -1.490900D-03
            S    14   1.00
                  6.401000D+05           2.480000D-05
                  9.593800D+04           1.919000D-04
                  2.183300D+04           1.010000D-03
                  6.181900D+03           4.165900D-03
                  2.015700D+03           1.456830D-02
                  7.271000D+02           4.083450D-02
                  2.832800D+02           8.948590D-02
                  1.159100D+02           8.727860D-02
                  3.612400D+01          -2.933644D-01
                  1.553200D+01          -5.667109D-01
                  4.785700D+00           5.105658D-01
                  2.081700D+00           7.477214D-01
                  4.202800D-01           4.215120D-02
                  1.606900D-01          -1.066120D-02
            S    14   1.00
                  6.401000D+05          -7.600000D-06
                  9.593800D+04          -5.880000D-05
                  2.183300D+04          -3.092000D-04
                  6.181900D+03          -1.276600D-03
                  2.015700D+03          -4.463400D-03
                  7.271000D+02          -1.255750D-02
                  2.832800D+02          -2.761450D-02
                  1.159100D+02          -2.739450D-02
                  3.612400D+01           9.640940D-02
                  1.553200D+01           1.976871D-01
                  4.785700D+00          -2.266693D-01
                  2.081700D+00          -5.241165D-01
                  4.202800D-01           6.889865D-01
                  1.606900D-01           5.344331D-01
            S    1   1.00
                  1.606900D-01           1.000000D+00
            S    1   1.00
                  0.0569460              1.0000000
            P    11   1.00
                  4.340800D+03           1.444800D-03
                  1.028900D+03           1.212880D-02
                  3.320200D+02           6.080770D-02
                  1.251600D+02           2.009358D-01
                  5.151100D+01           4.047419D-01
                  2.228100D+01           3.957151D-01
                  9.341700D+00           1.102213D-01
                  4.013200D+00          -9.090000D-04
                  1.700200D+00           2.483200D-03
                  4.719400D-01          -5.744000D-04
                  1.442100D-01           1.691000D-04
            P    11   1.00
                  4.340800D+03          -5.819000D-04
                  1.028900D+03          -4.906500D-03
                  3.320200D+02          -2.525140D-02
                  1.251600D+02          -8.694450D-02
                  5.151100D+01          -1.893422D-01
                  2.228100D+01          -1.710882D-01
                  9.341700D+00           2.368755D-01
                  4.013200D+00           5.898400D-01
                  1.700200D+00           3.171944D-01
                  4.719400D-01           1.798330D-02
                  1.442100D-01          -1.468300D-03
            P    11   1.00
                  4.340800D+03           1.518000D-04
                  1.028900D+03           1.256300D-03
                  3.320200D+02           6.622400D-03
                  1.251600D+02           2.238160D-02
                  5.151100D+01           5.097170D-02
                  2.228100D+01           4.140090D-02
                  9.341700D+00          -7.039700D-02
                  4.013200D+00          -2.232540D-01
                  1.700200D+00          -5.641790D-02
                  4.719400D-01           5.808079D-01
                  1.442100D-01           5.508132D-01
            P    1   1.00
                  1.442100D-01           1.000000D+00
            P    1   1.00
                  0.0410490              1.0000000
            D    5   1.00
                  1.048300D+02           2.265830D-02
                  3.027200D+01           1.345895D-01
                  1.064900D+01           3.647181D-01
                  3.869600D+00           4.904196D-01
                  1.323900D+00           2.713885D-01
            D    1   1.00
                  4.098000D-01           1.000000D+00
            D    1   1.00
                  0.1719000              1.0000000
            ****
            -Kr     0
            S    14   1.00
                  6.813588D+05           1.969000D-04
                  1.021265D+05           1.528600D-03
                  2.324371D+04           7.950000D-03
                  6.582007D+03           3.249380D-02
                  2.146429D+03           1.067240D-01
                  7.743378D+02           2.675701D-01
                  3.016702D+02           4.201851D-01
                  1.234118D+02           2.858015D-01
                  3.856755D+01           3.224610D-02
                  1.663738D+01          -7.682800D-03
                  5.198795D+00           2.939300D-03
                  2.294814D+00          -1.466200D-03
                  4.852110D-01           4.144000D-04
                  1.862700D-01          -1.720000D-04
            S    14   1.00
                  6.813588D+05          -6.220000D-05
                  1.021265D+05          -4.794000D-04
                  2.324371D+04          -2.534100D-03
                  6.582007D+03          -1.036360D-02
                  2.146429D+03          -3.635160D-02
                  7.743378D+02          -9.937370D-02
                  3.016702D+02          -2.140610D-01
                  1.234118D+02          -1.883192D-01
                  3.856755D+01           4.583816D-01
                  1.663738D+01           6.465664D-01
                  5.198795D+00           8.565790D-02
                  2.294814D+00          -1.561230D-02
                  4.852110D-01           3.649000D-03
                  1.862700D-01          -1.518900D-03
            S    14   1.00
                  6.813588D+05           2.490000D-05
                  1.021265D+05           1.928000D-04
                  2.324371D+04           1.014900D-03
                  6.582007D+03           4.185700D-03
                  2.146429D+03           1.464590D-02
                  7.743378D+02           4.110700D-02
                  3.016702D+02           9.039550D-02
                  1.234118D+02           8.906230D-02
                  3.856755D+01          -2.935718D-01
                  1.663738D+01          -5.759698D-01
                  5.198795D+00           4.968578D-01
                  2.294814D+00           7.616895D-01
                  4.852110D-01           4.532670D-02
                  1.862700D-01          -1.077220D-02
            S    14   1.00
                  6.813588D+05          -7.900000D-06
                  1.021265D+05          -6.140000D-05
                  2.324371D+04          -3.230000D-04
                  6.582007D+03          -1.333000D-03
                  2.146429D+03          -4.667200D-03
                  7.743378D+02          -1.313520D-02
                  3.016702D+02          -2.903420D-02
                  1.234118D+02          -2.901730D-02
                  3.856755D+01           1.002664D-01
                  1.663738D+01           2.103818D-01
                  5.198795D+00          -2.332471D-01
                  2.294814D+00          -5.546497D-01
                  4.852110D-01           6.969522D-01
                  1.862700D-01           5.408152D-01
            S    1   1.00
                  1.862700D-01           1.000000D+00
            S    1   1.00
                  0.0651450              1.0000000
            P    11   1.00
                  4.474270D+03           1.519500D-03
                  1.060579D+03           1.274240D-02
                  3.422081D+02           6.364650D-02
                  1.289984D+02           2.085635D-01
                  5.308722D+01           4.122423D-01
                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
                  4.083055D+00          -2.507800D-03
                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
                  1.643690D-01           2.107000D-04
            P    11   1.00
                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
                  9.507300D+00           2.738204D-01
                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
                  5.308722D+01           5.571550D-02
                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
                  5.291900D-01           6.012295D-01
                  1.643690D-01           5.254807D-01
            P    1   1.00
                  1.643690D-01           1.000000D+00
            P    1   1.00
                  0.0466060              1.0000000
            D    5   1.00
                  1.155253D+02           2.195570D-02
                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
                  1.507524D+00           2.667560D-01
            D    1   1.00
                  5.030000D-01           1.000000D+00
            D    1   1.00
                  0.2155000              1.0000000
            ****
            -Y     0
            S    7   1.00
                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
                  0.0690850              0.6581470
            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
                  0.0690850             -1.8636390
            S    1   1.00
                  0.0274150              1.0000000
            S    1   1.00
                  0.0109000              1.0000000
            P    6   1.00
                  9.0271500              0.0203960
                  4.0242700             -0.1536620
                  0.9906740              0.4320820
                  0.4727970              0.4983480
                  0.2197340              0.1957420
                  0.0800880              0.0140830
            P    6   1.00
                  9.0271500             -0.0056190
                  4.0242700              0.0465110
                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
                  0.0800880              0.6364970
            P    6   1.00
                  9.0271500              0.0111310
                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
                  0.0800880             -0.1131120
            P    1   1.00
                  0.0306400              1.0000000
            P    1   1.00
                  0.0117000              1.0000000
            D    5   1.00
                  4.3045000             -0.0043910
                  1.3201900              0.1196820
                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
                  4.3045000              0.0044330
                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
                  0.0879490              0.4218970
            D    1   1.00
                  0.0323050              1.0000000
            D    1   1.00
                  0.0119000              1.0000000
            F    1   1.00
                  0.2028000              1.0000000
            F    1   1.00
                  0.0484000              1.0000000
            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
                  0.0777920              0.6560480
            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
                  0.0777920             -1.6769590
            S    1   1.00
                  0.0302340              1.0000000
            S    1   1.00
                  0.0118000              1.0000000
            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
                  0.0847070              0.8518400
            P    1   1.00
                  0.0311380              1.0000000
            P    1   1.00
                  0.0114000              1.0000000
            D    5   1.00
                  4.3948700             -0.0082920
                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
                  4.3948700              0.0084760
                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
                  0.1158780              0.4914180
            D    1   1.00
                  0.0429250              1.0000000
            D    1   1.00
                  0.0159000              1.0000000
            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
                  0.0854690              0.6546160
            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
                  0.0326640              1.0000000
            S    1   1.00
                  0.0125000              1.0000000
            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
                  0.0929460              0.0087660
            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
                  0.0338800              1.0000000
            P    1   1.00
                  0.0123000              1.0000000
            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
                  0.1447240              0.4861590
            D    1   1.00
                  0.0543230              1.0000000
            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
                  0.0925180              0.6498330
            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
                  0.0362770              1.0000000
            P    1   1.00
                  0.0131000              1.0000000
            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
                  0.0623420              1.0000000
            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
                  0.1936070              0.5346560
            D    1   1.00
                  0.0714600              1.0000000
            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
                  0.0824110              1.0000000
            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
                  0.8583350             -0.1858420
                  0.3772750              0.0731610
                  0.1256960              0.5861720
            P    6   1.00
                 14.0509000             -0.0186030
                  7.1390600              0.1098650
                  1.8300700             -0.3664000
                  0.8583350             -0.3473160
                  0.3772750              0.4820340
                  0.1256960              0.7096400
            P    1   1.00
                  0.0426590              1.0000000
            P    1   1.00
                  0.0145000              1.0000000
            D    5   1.00
                 19.2539000              0.0066240
                 10.5848000             -0.0184110
                  2.4561900              0.2633960
                  1.0352900              0.4524480
                  0.4020080              0.3758330
            D    5   1.00
                 19.2539000             -0.0078390
                 10.5848000              0.0218380
                  2.4561900             -0.3691550
                  1.0352900             -0.4309590
                  0.4020080              0.3749650
            D    1   1.00
                  0.1370570              1.0000000
            D    1   1.00
                  0.0467000              1.0000000
            F    1   1.00
                  1.1484000              1.0000000
            F    1   1.00
                  0.3788000              1.0000000
            ****
            -Ag     0
            S    8   1.00
                180.0750000              0.0008490
                 21.8987000             -0.0654500
                 13.8670000              0.2977650
                  6.1426300             -0.7531210
                  1.4381400              0.8811750
                  0.6483820              0.4351760
                  0.1288820              0.0147380
                  0.0457380             -0.0013990
            S    8   1.00
                180.0750000             -0.0002030
                 21.8987000              0.0157230
                 13.8670000             -0.0792290
                  6.1426300              0.2226340
                  1.4381400             -0.3491960
                  0.6483820             -0.2559780
                  0.1288820              0.5486660
                  0.0457380              0.6181030
            S    8   1.00
                180.0750000             -0.0008620
                 21.8987000              0.0525460
                 13.8670000             -0.2081000
                  6.1426300              0.5249720
                  1.4381400             -1.2701730
                  0.6483820              0.5393730
                  0.1288820              1.6533910
                  0.0457380             -1.5839750
            S    1   1.00
                  0.0457380              1.0000000
            S    1   1.00
                  0.0162000              1.0000000
            P    7   1.00
                 11.8751000              0.1162480
                  8.0024500             -0.3072860
                  2.0176600              0.5157360
                  0.9542300              0.5031040
                  0.4231180              0.1420950
                  0.1358850              0.0051530
                  0.0454010              0.0001040
            P    7   1.00
                 11.8751000             -0.0282840
                  8.0024500              0.0783470
                  2.0176600             -0.1567410
                  0.9542300             -0.1886250
                  0.4231180              0.0635650
                  0.1358850              0.5817780
                  0.0454010              0.4999110
            P    7   1.00
                 11.8751000             -0.0528570
                  8.0024500              0.1470390
                  2.0176600             -0.3129730
                  0.9542300             -0.3708280
                  0.4231180              0.4236290
                  0.1358850              0.7536550
                  0.0454010              0.0708700
            P    1   1.00
                  0.0454010              1.0000000
            P    1   1.00
                  0.0152000              1.0000000
            D    6   1.00
                 26.4320000              0.0034790
                 11.0345000             -0.0138480
                  2.7378700              0.2545990
                  1.1957500              0.4498490
                  0.4820420              0.3757380
                  0.1729080              0.1458790
            D    6   1.00
                 26.4320000             -0.0047330
                 11.0345000              0.0190700
                  2.7378700             -0.4332980
                  1.1957500             -0.4445680
                  0.4820420              0.4914420
                  0.1729080              0.5728660
            D    1   1.00
                  0.1729080              1.0000000
            D    1   1.00
                  0.0620000              1.0000000
            F    1   1.00
                  1.3299000              1.0000000
            F    1   1.00
                  0.4449000              1.0000000
            ****
            -Cd     0
            S    8   1.00
                223.8530000              0.0008710
                 23.0948000             -0.0643070
                 14.6522000              0.3013160
                  6.5704440             -0.7605240
                  1.5378300              0.8940710
                  0.6909840              0.4278790
                  0.1349130              0.0101880
                  0.0474420             -0.0024450
            S    8   1.00
                223.8530000             -0.0002290
                 23.0948000              0.0155940
                 14.6522000             -0.0810470
                  6.5704440              0.2272510
                  1.5378300             -0.3625630
                  0.6909840             -0.2507830
                  0.1349130              0.6135330
                  0.0474420              0.5582600
            S    8   1.00
                223.8530000              0.0010770
                 23.0948000             -0.0716490
                 14.6522000              0.2889750
                  6.5704440             -0.7315460
                  1.5378300              1.9768990
                  0.6909840             -1.3519510
                  0.1349130             -1.1186740
                  0.0474420              1.3026160
            S    1   1.00
                  0.0474420              1.0000000
            S    1   1.00
                  0.0167000              1.0000000
            P    7   1.00
                 13.7175000              0.0776160
                  8.4632200             -0.2579430
                  2.1182000              0.5352740
                  0.9892620              0.4963620
                  0.4317810              0.1231090
                  0.1391600              0.0032100
                  0.0461490              0.0003400
            P    7   1.00
                 13.7175000             -0.0180110
                  8.4632200              0.0637170
                  2.1182000             -0.1587410
                  0.9892620             -0.1762800
                  0.4317810              0.0710060
                  0.1391600              0.5775860
                  0.0461490              0.4994910
            P    7   1.00
                 13.7175000             -0.0307300
                  8.4632200              0.1087440
                  2.1182000             -0.2782310
                  0.9892620             -0.3293900
                  0.4317810              0.3546300
                  0.1391600              0.7814580
                  0.0461490              0.0852520
            P    1   1.00
                  0.0461490              1.0000000
            P    1   1.00
                  0.0153000              1.0000000
            D    6   1.00
                 31.6697000              0.0031630
                 12.2214000             -0.0117910
                  3.1219900              0.2411940
                  1.3894100              0.4489980
                  0.5732030              0.3802110
                  0.2117080              0.1445530
            D    6   1.00
                 31.6697000             -0.0048710
                 12.2214000              0.0185820
                  3.1219900             -0.4766730
                  1.3894100             -0.4576040
                  0.5732030              0.5714620
                  0.2117080              0.4973800
            D    1   1.00
                  0.2117080              1.0000000
            D    1   1.00
                  0.0782000              1.0000000
            F    1   1.00
                  1.5393000              1.0000000
            F    1   1.00
                  0.5177000              1.0000000
            ****
            -In     0
            S    8   1.00
                265.1310000              0.0007700
                 25.5694000             -0.0527910
                 16.0041000              0.2593430
                  6.8188500             -0.7392890
                  1.6667600              0.8857730
                  0.7692320              0.4425920
                  0.1704150              0.0115740
                  0.0622300             -0.0024510
            S    8   1.00
                265.1310000             -0.0002300
                 25.5694000              0.0140880
                 16.0041000             -0.0786150
                  6.8188500              0.2528640
                  1.6667600             -0.4155450
                  0.7692320             -0.2966470
                  0.1704150              0.6785780
                  0.0622300              0.5271290
            S    1   1.00
                  0.1704150              1.0000000
            S    1   1.00
                  0.0622300              1.0000000
            S    1   1.00
                  0.0203000              1.0000000
            P    6   1.00
                 14.4691000              0.0901770
                  9.2808300             -0.2676420
                  2.0820100              0.6644830
                  0.8443140              0.4616900
                  0.1869000              0.0270590
                  0.0547770             -0.0046770
            P    6   1.00
                 14.4691000             -0.0190230
                  9.2808300              0.0591570
                  2.0820100             -0.1807490
                  0.8443140             -0.1145820
                  0.1869000              0.4407390
                  0.0547770              0.6877890
            P    1   1.00
                  0.0547770              1.0000000
            P    1   1.00
                  0.0141000              1.0000000
            D    6   1.00
                 30.7879000              0.0057660
                 19.2555000             -0.0107080
                  3.1966200              0.2938600
                  1.3321000              0.5108690
                  0.5046190              0.3415190
                  0.1498000              0.0524650
            D    1   1.00
                  0.1498000              1.0000000
            D    1   1.00
                  0.0472000              1.0000000
            ****
            -Sn     0
            S    8   1.00
                380.3660000              0.0011650
                 28.5822000             -0.0260060
                 17.8892000              0.1660430
                  6.9286200             -0.6589140
                  1.7839100              0.8693360
                  0.8431380              0.4521320
                  0.2052280              0.0129730
                  0.0766360             -0.0024030
            S    8   1.00
                380.3660000             -0.0004420
                 28.5822000              0.0057020
                 17.8892000             -0.0528940
                  6.9286200              0.2520870
                  1.7839100             -0.4703430
                  0.8431380             -0.3161440
                  0.2052280              0.7206250
                  0.0766360              0.5111140
            S    1   1.00
                  0.2052280              1.0000000
            S    1   1.00
                  0.0766360              1.0000000
            S    1   1.00
                  0.0275000              1.0000000
            P    6   1.00
                 18.5489000              0.0370210
                  9.5669600             -0.1938660
                  2.2186100              0.6575940
                  0.9214590              0.4555060
                  0.2178580              0.0272160
                  0.0693200             -0.0046040
            P    6   1.00
                 18.5489000             -0.0090520
                  9.5669600              0.0517620
                  2.2186100             -0.2217430
                  0.9214590             -0.1242790
                  0.2178580              0.5218530
                  0.0693200              0.6099370
            P    1   1.00
                  0.0693200              1.0000000
            P    1   1.00
                  0.0209000              1.0000000
            D    6   1.00
                 38.5626000              0.0042610
                 21.7613000             -0.0068970
                  3.6611100              0.2762770
                  1.5583300              0.5143230
                  0.6095230              0.3445590
                  0.1897000              0.0515940
            D    1   1.00
                  0.1897000              1.0000000
            D    1   1.00
                  0.0649000              1.0000000
            ****
            -Sb     0
            S    8   1.00
                371.5840000              0.0015910
                 26.5392000             -0.0416840
                 16.6213000              0.2733430
                  7.7355100             -0.7676850
                  1.8923400              0.8994960
                  0.9104310              0.4313870
                  0.2442310              0.0128370
                  0.0923970             -0.0021730
            S    8   1.00
                371.5840000              0.0006540
                 26.5392000             -0.0109620
                 16.6213000              0.0938330
                  7.7355100             -0.3040090
                  1.8923400              0.5084090
                  0.9104310              0.3392390
                  0.2442310             -0.7347720
                  0.0923970             -0.5261340
            S    1   1.00
                  0.2442310              1.0000000
            S    1   1.00
                  0.0923970              1.0000000
            S    1   1.00
                  0.0327000              1.0000000
            P    6   1.00
                 16.0509000              0.0921570
                 10.2621000             -0.2755590
                  2.4283200              0.6586400
                  1.0336000              0.4668920
                  0.2594400              0.0285110
                  0.0861080             -0.0051550
            P    6   1.00
                 16.0509000             -0.0253130
                 10.2621000              0.0797960
                  2.4283200             -0.2420940
                  1.0336000             -0.1486050
                  0.2594400              0.5489440
                  0.0861080              0.5892910
            P    1   1.00
                  0.0861080              1.0000000
            P    1   1.00
                  0.0271000              1.0000000
            D    6   1.00
                 45.4785000              0.0032590
                 18.5114000             -0.0054970
                  3.9160000              0.2799530
                  1.7148200              0.5127510
                  0.6973190              0.3328720
                  0.2304000              0.0488430
            D    1   1.00
                  0.2304000              1.0000000
            D    1   1.00
                  0.0802000              1.0000000
            ****
            -Te     0
            S    8   1.00
               2111.1900000              0.0006120
                311.6910000              0.0032070
                 13.8226000              0.4055120
                  8.7174800             -0.9325880
                  1.9830300              0.9196570
                  0.9703770              0.4046710
                  0.2797650              0.0123660
                  0.1067760             -0.0016040
            S    8   1.00
               2111.1900000              0.0002510
                311.6910000              0.0014570
                 13.8226000              0.1637020
                  8.7174800             -0.3984550
                  1.9830300              0.5780740
                  0.9703770              0.3271240
                  0.2797650             -0.7846540
                  0.1067760             -0.4994510
            S    1   1.00
                  0.2797650              1.0000000
            S    1   1.00
                  0.1067760              1.0000000
            S    1   1.00
                  0.0369000              1.0000000
            P    6   1.00
                 17.0629000              0.0893400
                 10.8306000             -0.2711680
                  2.5938000              0.6620230
                  1.1267600              0.4607440
                  0.3001760              0.0288090
                  0.0975510             -0.0038630
            P    6   1.00
                 17.0629000             -0.0268610
                 10.8306000              0.0863040
                  2.5938000             -0.2735020
                  1.1267600             -0.1513900
                  0.3001760              0.5839760
                  0.0975510              0.5650140
            P    1   1.00
                  0.0975510              1.0000000
            P    1   1.00
                  0.0299000              1.0000000
            D    6   1.00
                 50.9106000              0.0033540
                 18.4647000             -0.0036420
                  4.2761700              0.2780800
                  1.8977000              0.5163480
                  0.7864800              0.3265710
                  0.2638000              0.0451520
            D    1   1.00
                  0.2638000              1.0000000
            D    1   1.00
                  0.0988000              1.0000000
            ****
            -I     0
            S    8   1.00
                  2.449790D+03           4.190000D-04
                  3.598080D+02           2.240000D-03
                  1.440580D+01           3.972230D-01
                  9.076320D+00          -9.322490D-01
                  2.088100D+00           9.371380D-01
                  1.034980D+00           3.920860D-01
                  3.162840D-01           1.248500D-02
                  1.217190D-01          -1.329000D-03
            S    8   1.00
                  2.449790D+03           1.750000D-04
                  3.598080D+02           1.057000D-03
                  1.440580D+01           1.690000D-01
                  9.076320D+00          -4.217930D-01
                  2.088100D+00           6.388640D-01
                  1.034980D+00           3.201150D-01
                  3.162840D-01          -8.144280D-01
                  1.217190D-01          -4.897980D-01
            S    1   1.00
                  3.162840D-01           1.000000D+00
            S    1   1.00
                  1.217190D-01           1.000000D+00
            S    1   1.00
                  4.200000D-02           1.0000000
            P    6   1.00
                  1.953010D+01           5.893400D-02
                  1.108820D+01          -2.309300D-01
                  2.715630D+00           6.648010D-01
                  1.204300D+00           4.506730D-01
                  3.399450D-01           2.898000D-02
                  1.108810D-01          -2.889000D-03
            P    6   1.00
                  1.953010D+01          -1.883600D-02
                  1.108820D+01           8.000600D-02
                  2.715630D+00          -3.066520D-01
                  1.204300D+00          -1.475940D-01
                  3.399450D-01           6.075060D-01
                  1.108810D-01           5.470490D-01
            P    1   1.00
                  1.108810D-01           1.000000D+00
            P    1   1.00
                  3.380000D-02           1.0000000
            D    6   1.00
                  4.547650D+01           4.266000D-03
                  1.319280D+01          -1.362500D-02
                  4.227410D+00           3.097560D-01
                  1.942800D+00           5.097720D-01
                  8.397710D-01           2.974610D-01
                  3.000000D-01           4.016400D-02
            D    1   1.00
                  3.000000D-01           1.000000D+00
            D    1   1.00
                  1.191000D-01           1.0000000
            ****
            -Xe     0
            S    8   1.00
               2058.3200000              0.0009380
                307.4270000              0.0044200
                 15.7815000              0.3543950
                  9.5447000             -0.8885140
                  2.2296900              0.9496240
                  1.1120000              0.3810660
                  0.3554300              0.0125430
                  0.1377260             -0.0010730
            S    8   1.00
               2058.3200000             -0.0004380
                307.4270000             -0.0022770
                 15.7815000             -0.1557960
                  9.5447000              0.4175780
                  2.2296900             -0.6793250
                  1.1120000             -0.3183090
                  0.3554300              0.8356730
                  0.1377260              0.4854110
            S    1   1.00
                  0.3554300              1.0000000
            S    1   1.00
                  0.1377260              1.0000000
            S    1   1.00
                  0.0473000              1.0000000
            P    6   1.00
                 20.1725000              0.0687400
                 11.8122000             -0.2446140
                  2.9346000              0.6676480
                  1.3189000              0.4501800
                  0.3858160              0.0286890
                  0.1269610             -0.0034820
            P    6   1.00
                 20.1725000             -0.0229670
                 11.8122000              0.0881150
                  2.9346000             -0.3233110
                  1.3189000             -0.1542280
                  0.3858160              0.6228820
                  0.1269610              0.5375650
            P    1   1.00
                  0.1269610              1.0000000
            P    1   1.00
                  0.0379000              1.0000000
            D    6   1.00
                 52.6666000              0.0048070
                 14.3464000             -0.0045170
                  4.8159700              0.3015100
                  2.2149600              0.5120370
                  0.9611280              0.2990900
                  0.3412000              0.0395700
            D    1   1.00
                  0.3412000              1.0000000
            D    1   1.00
                  0.1404000              1.0000000
            ****
            -Hf     0
            S    7   1.00
                 29.2650000              0.0294330
                 18.3491000             -0.1987340
                 11.5257000              0.4359330
                  4.3859900             -0.7730970
                  0.8910800              0.8677580
                  0.4057400              0.4202920
                  0.0950670              0.0131930
            S    7   1.00
                 29.2650000             -0.0090770
                 18.3491000              0.0611920
                 11.5257000             -0.1354740
                  4.3859900              0.2530470
                  0.8910800             -0.3699320
                  0.4057400             -0.3314430
                  0.0950670              0.6577990
            S    7   1.00
                 29.2650000              0.0309420
                 18.3491000             -0.1631770
                 11.5257000              0.3100050
                  4.3859900             -0.5289420
                  0.8910800              1.2562440
                  0.4057400             -0.4970260
                  0.0950670             -1.8102840
            S    1   1.00
                  0.0358680              1.0000000
            S    1   1.00
                  0.0135000              1.0000000
            P    6   1.00
                  7.1199600              0.1786130
                  4.6018200             -0.5085500
                  2.9004600              0.1812060
                  0.9377910              0.6364370
                  0.3915000              0.4348840
                  0.1071520              0.0442170
            P    6   1.00
                  7.1199600             -0.0485910
                  4.6018200              0.1398590
                  2.9004600             -0.0462230
                  0.9377910             -0.2282940
                  0.3915000             -0.1575630
                  0.1071520              0.5288190
            P    6   1.00
                  7.1199600             -0.0658780
                  4.6018200              0.1871460
                  2.9004600             -0.0488380
                  0.9377910             -0.3615180
                  0.3915000             -0.1743340
                  0.1071520              0.9190410
            P    1   1.00
                  0.0367710              1.0000000
            P    1   1.00
                  0.0126000              1.0000000
            D    5   1.00
                  7.4982700              0.0144910
                  4.6961800             -0.0529680
                  1.0636000              0.2380440
                  0.4188210              0.4352750
                  0.1545660              0.4244200
            D    5   1.00
                  7.4982700             -0.0165460
                  4.6961800              0.0618730
                  1.0636000             -0.3167410
                  0.4188210             -0.5274120
                  0.1545660              0.3428660
            D    1   1.00
                  0.0526440              1.0000000
            D    1   1.00
                  0.0179000              1.0000000
            F    1   1.00
                  0.2700000              1.0000000
            F    1   1.00
                  0.0824000              1.0000000
            ****
            -Ta     0
            S    7   1.00
                 29.8670000              0.0287250
                 18.7203000             -0.1985810
                 11.7533000              0.4482880
                  4.5708900             -0.7983960
                  0.9478400              0.8861040
                  0.4340380              0.4136940
                  0.1050310              0.0121460
            S    7   1.00
                 29.8670000             -0.0091320
                 18.7203000              0.0630170
                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-11964.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     11990.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer04_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:46:11 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer04_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                -2.290197000000      0.748875000000     -0.891176000000
  C                                                -1.648974000000     -0.346953000000     -0.234259000000
  H                                                -1.847181000000      0.897780000000     -1.734096000000
  H                                                -1.837741000000     -1.270698000000     -0.796269000000
  C                                                -2.300915000000     -0.468453000000      1.135040000000
  C                                                -0.150678000000     -0.155244000000     -0.135613000000
  H                                                -3.376843000000     -0.608909000000      1.025779000000
  H                                                -2.123257000000      0.438110000000      1.715196000000
  H                                                -1.885133000000     -1.316357000000      1.680026000000
  C                                                 0.387808000000      1.095483000000      0.166105000000
  C                                                 1.761013000000      1.260318000000      0.290370000000
  C                                                 2.614804000000      0.175587000000      0.119503000000
  C                                                 2.086637000000     -1.073581000000     -0.182153000000
  C                                                 0.711910000000     -1.234195000000     -0.311415000000
  H                                                -0.277717000000      1.939381000000      0.293556000000
  H                                                 2.166838000000      2.236806000000      0.522706000000
  H                                                 3.685054000000      0.305030000000      0.215836000000
  H                                                 2.744500000000     -1.921576000000     -0.323868000000
  H                                                 0.303419000000     -2.208340000000     -0.554934000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 19:46:12 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.290197    0.748875   -0.891176
      2          6           0       -1.648974   -0.346953   -0.234259
      3          1           0       -1.847181    0.897780   -1.734096
      4          1           0       -1.837741   -1.270698   -0.796269
      5          6           0       -2.300915   -0.468453    1.135040
      6          6           0       -0.150678   -0.155244   -0.135613
      7          1           0       -3.376843   -0.608909    1.025779
      8          1           0       -2.123257    0.438110    1.715196
      9          1           0       -1.885133   -1.316357    1.680026
     10          6           0        0.387808    1.095483    0.166105
     11          6           0        1.761013    1.260318    0.290370
     12          6           0        2.614804    0.175587    0.119503
     13          6           0        2.086637   -1.073581   -0.182153
     14          6           0        0.711910   -1.234195   -0.311415
     15          1           0       -0.277717    1.939381    0.293556
     16          1           0        2.166838    2.236806    0.522706
     17          1           0        3.685054    0.305030    0.215836
     18          1           0        2.744500   -1.921576   -0.323868
     19          1           0        0.303419   -2.208340   -0.554934
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.429526   0.000000
     3  H    0.963821   1.959122   0.000000
     4  H    2.071811   1.097631   2.362606   0.000000
     5  C    2.363801   1.521437   3.210048   2.141981   0.000000
     6  C    2.442509   1.513729   2.557759   2.127648   2.517177
     7  H    2.588261   2.154495   3.496697   2.475209   1.090544
     8  H    2.630137   2.154447   3.490721   3.051065   1.090871
     9  H    3.322701   2.158704   4.069407   2.477169   1.090333
    10  C    2.899947   2.527725   2.940243   3.387926   3.257908
    11  C    4.250874   3.806122   4.153187   4.531871   4.494594
    12  C    5.040751   4.310220   4.885356   4.770276   5.060672
    13  C    4.793823   3.805981   4.665803   3.977026   4.620800
    14  C    3.644357   2.523277   3.621917   2.595599   3.428660
    15  H    2.621254   2.717767   2.767584   3.731756   3.255624
    16  H    4.906950   4.670035   4.795675   5.484426   5.258726
    17  H    6.093119   5.392543   5.895694   5.831684   6.105329
    18  H    5.727244   4.667985   5.569654   4.652283   5.449421
    19  H    3.947787   2.716511   3.957712   2.349890   3.558901
                    6          7          8          9         10
     6  C    0.000000
     7  H    3.458726   0.000000
     8  H    2.769229   1.772857   0.000000
     9  H    2.766417   1.775872   1.770902   0.000000
    10  C    1.394747   4.220970   3.022792   3.643513   0.000000
    11  C    2.416576   5.516557   4.218259   4.675979   1.388634
    12  C    2.796860   6.110369   5.006434   4.991048   2.409957
    13  C    2.418902   5.614680   4.858842   4.393360   2.777074
    14  C    1.392516   4.347065   3.865479   3.273717   2.400097
    15  H    2.141910   4.078543   2.771442   3.886633   1.082281
    16  H    3.395021   6.251686   4.802318   5.512062   2.143532
    17  H    3.879202   7.166706   6.000189   5.983288   3.391035
    18  H    3.396678   6.404333   5.781086   5.080884   3.859626
    19  H    2.144117   4.312906   4.248052   3.252759   3.382642
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.390969   0.000000
    13  C    2.403413   1.389380   0.000000
    14  C    2.772248   2.407111   1.390101   0.000000
    15  H    2.148850   3.392336   3.859328   3.378896   0.000000
    16  H    1.082683   2.147526   3.385546   3.854922   2.473221
    17  H    2.149433   1.082345   2.147999   3.389217   4.287272
    18  H    3.386589   2.147438   1.082572   2.145710   4.941862
    19  H    3.856256   3.388285   2.146278   1.084032   4.273318
                   16         17         18         19
    16  H    0.000000
    17  H    2.476067   0.000000
    18  H    4.282817   2.476630   0.000000
    19  H    4.938923   4.283290   2.468704   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.39D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.290197    0.748875   -0.891176
      2          6           0       -1.648974   -0.346953   -0.234259
      3          1           0       -1.847181    0.897780   -1.734096
      4          1           0       -1.837741   -1.270698   -0.796269
      5          6           0       -2.300915   -0.468453    1.135040
      6          6           0       -0.150678   -0.155244   -0.135613
      7          1           0       -3.376843   -0.608909    1.025779
      8          1           0       -2.123257    0.438110    1.715196
      9          1           0       -1.885133   -1.316357    1.680026
     10          6           0        0.387808    1.095483    0.166105
     11          6           0        1.761013    1.260318    0.290370
     12          6           0        2.614804    0.175587    0.119503
     13          6           0        2.086637   -1.073581   -0.182153
     14          6           0        0.711910   -1.234195   -0.311415
     15          1           0       -0.277717    1.939381    0.293556
     16          1           0        2.166838    2.236806    0.522706
     17          1           0        3.685054    0.305030    0.215836
     18          1           0        2.744500   -1.921576   -0.323868
     19          1           0        0.303419   -2.208340   -0.554934
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4873523           1.1087927           0.9832918
 Leave Link  202 at Thu Aug 12 19:46:12 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.6499884117 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0324376842 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.6175507275 Hartrees.
 Leave Link  301 at Thu Aug 12 19:46:15 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  1.82D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 19:46:16 2021, MaxMem=  5368709120 cpu:               4.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:46:16 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer04_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:46:17 2021, MaxMem=  5368709120 cpu:               3.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368505071 LenY=  5368405405
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -386.171282114855    
 DIIS: error= 2.15D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -386.171282114855     IErMin= 1 ErrMin= 2.15D-03
 ErrMax= 2.15D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.57D-03 BMatP= 4.57D-03
 IDIUse=3 WtCom= 9.78D-01 WtEn= 2.15D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.234 Goal=   None    Shift=    0.000
 GapD=    0.234 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.86D-02 MaxDP=4.28D+00              OVMax= 1.84D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.20D-02    CP:  1.98D+00
 E= -386.175434273766     Delta-E=       -0.004152158910 Rises=F Damp=F
 DIIS: error= 2.44D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -386.175434273766     IErMin= 2 ErrMin= 2.44D-04
 ErrMax= 2.44D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.99D-05 BMatP= 4.57D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.44D-03
 Coeff-Com:  0.714D-02 0.993D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.712D-02 0.993D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=2.96D-03 MaxDP=1.72D-01 DE=-4.15D-03 OVMax= 3.31D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.42D-04    CP:  2.01D+00  1.04D+00
 E= -386.175401579976     Delta-E=        0.000032693790 Rises=F Damp=F
 DIIS: error= 3.00D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -386.175434273766     IErMin= 2 ErrMin= 2.44D-04
 ErrMax= 3.00D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-04 BMatP= 5.99D-05
 IDIUse=3 WtCom= 3.66D-01 WtEn= 6.34D-01
 Coeff-Com: -0.714D-02 0.587D+00 0.420D+00
 Coeff-En:   0.000D+00 0.606D+00 0.394D+00
 Coeff:     -0.261D-02 0.599D+00 0.404D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=2.04D-04 MaxDP=6.52D-03 DE= 3.27D-05 OVMax= 2.07D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.20D-04    CP:  2.02D+00  1.04D+00  8.88D-01
 E= -386.175494025784     Delta-E=       -0.000092445808 Rises=F Damp=F
 DIIS: error= 3.28D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -386.175494025784     IErMin= 4 ErrMin= 3.28D-05
 ErrMax= 3.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-06 BMatP= 5.99D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.425D-02 0.146D+00 0.140D+00 0.719D+00
 Coeff:     -0.425D-02 0.146D+00 0.140D+00 0.719D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=1.05D-04 MaxDP=4.71D-03 DE=-9.24D-05 OVMax= 3.11D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.90D-05    CP:  2.02D+00  1.04D+00  8.75D-01  1.16D+00
 E= -386.175494810734     Delta-E=       -0.000000784950 Rises=F Damp=F
 DIIS: error= 2.18D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -386.175494810734     IErMin= 5 ErrMin= 2.18D-05
 ErrMax= 2.18D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.15D-07 BMatP= 1.27D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.131D-02 0.260D-01 0.402D-01 0.376D+00 0.559D+00
 Coeff:     -0.131D-02 0.260D-01 0.402D-01 0.376D+00 0.559D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=1.45D-05 MaxDP=5.30D-04 DE=-7.85D-07 OVMax= 2.18D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.55D-06    CP:  2.02D+00  1.04D+00  8.84D-01  1.13D+00  8.45D-01
 E= -386.175495137757     Delta-E=       -0.000000327023 Rises=F Damp=F
 DIIS: error= 5.30D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -386.175495137757     IErMin= 6 ErrMin= 5.30D-06
 ErrMax= 5.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.45D-08 BMatP= 3.15D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.371D-03 0.233D-02 0.111D-01 0.142D+00 0.289D+00 0.556D+00
 Coeff:     -0.371D-03 0.233D-02 0.111D-01 0.142D+00 0.289D+00 0.556D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=3.76D-06 MaxDP=1.19D-04 DE=-3.27D-07 OVMax= 9.33D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.08D-06    CP:  2.02D+00  1.04D+00  8.86D-01  1.13D+00  8.87D-01
                    CP:  8.98D-01
 E= -386.175495159827     Delta-E=       -0.000000022070 Rises=F Damp=F
 DIIS: error= 2.53D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -386.175495159827     IErMin= 7 ErrMin= 2.53D-06
 ErrMax= 2.53D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.67D-09 BMatP= 2.45D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.784D-04-0.193D-02 0.188D-02 0.380D-01 0.109D+00 0.353D+00
 Coeff-Com:  0.501D+00
 Coeff:     -0.784D-04-0.193D-02 0.188D-02 0.380D-01 0.109D+00 0.353D+00
 Coeff:      0.501D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=1.48D-06 MaxDP=6.09D-05 DE=-2.21D-08 OVMax= 3.20D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.45D-07    CP:  2.02D+00  1.04D+00  8.86D-01  1.13D+00  8.82D-01
                    CP:  9.31D-01  7.12D-01
 E= -386.175495165827     Delta-E=       -0.000000006000 Rises=F Damp=F
 DIIS: error= 3.72D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -386.175495165827     IErMin= 8 ErrMin= 3.72D-07
 ErrMax= 3.72D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-10 BMatP= 5.67D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.117D-04-0.845D-03-0.250D-03 0.102D-03 0.137D-01 0.690D-01
 Coeff-Com:  0.172D+00 0.746D+00
 Coeff:      0.117D-04-0.845D-03-0.250D-03 0.102D-03 0.137D-01 0.690D-01
 Coeff:      0.172D+00 0.746D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=5.78D-07 MaxDP=2.93D-05 DE=-6.00D-09 OVMax= 4.63D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.70D-07    CP:  2.02D+00  1.04D+00  8.86D-01  1.13D+00  8.84D-01
                    CP:  9.32D-01  7.15D-01  9.05D-01
 E= -386.175495165930     Delta-E=       -0.000000000102 Rises=F Damp=F
 DIIS: error= 1.44D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -386.175495165930     IErMin= 9 ErrMin= 1.44D-07
 ErrMax= 1.44D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.41D-11 BMatP= 1.25D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D-04-0.369D-03-0.217D-03-0.180D-02 0.250D-02 0.201D-01
 Coeff-Com:  0.675D-01 0.407D+00 0.505D+00
 Coeff:      0.100D-04-0.369D-03-0.217D-03-0.180D-02 0.250D-02 0.201D-01
 Coeff:      0.675D-01 0.407D+00 0.505D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=1.32D-07 MaxDP=5.90D-06 DE=-1.02D-10 OVMax= 1.86D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.85D-08    CP:  2.02D+00  1.04D+00  8.86D-01  1.13D+00  8.84D-01
                    CP:  9.32D-01  7.20D-01  9.38D-01  9.26D-01
 E= -386.175495165961     Delta-E=       -0.000000000031 Rises=F Damp=F
 DIIS: error= 4.10D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -386.175495165961     IErMin=10 ErrMin= 4.10D-08
 ErrMax= 4.10D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-12 BMatP= 2.41D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.385D-05-0.111D-03-0.841D-04-0.961D-03 0.782D-04 0.410D-02
 Coeff-Com:  0.188D-01 0.139D+00 0.252D+00 0.587D+00
 Coeff:      0.385D-05-0.111D-03-0.841D-04-0.961D-03 0.782D-04 0.410D-02
 Coeff:      0.188D-01 0.139D+00 0.252D+00 0.587D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=4.11D-08 MaxDP=1.93D-06 DE=-3.14D-11 OVMax= 7.35D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.41D-08    CP:  2.02D+00  1.04D+00  8.86D-01  1.13D+00  8.84D-01
                    CP:  9.33D-01  7.21D-01  9.36D-01  9.40D-01  8.33D-01
 E= -386.175495165950     Delta-E=        0.000000000010 Rises=F Damp=F
 DIIS: error= 1.64D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -386.175495165961     IErMin=11 ErrMin= 1.64D-08
 ErrMax= 1.64D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.15D-13 BMatP= 1.50D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.795D-06-0.133D-04-0.165D-04-0.307D-03-0.279D-03-0.365D-03
 Coeff-Com:  0.153D-02 0.236D-01 0.758D-01 0.352D+00 0.548D+00
 Coeff:      0.795D-06-0.133D-04-0.165D-04-0.307D-03-0.279D-03-0.365D-03
 Coeff:      0.153D-02 0.236D-01 0.758D-01 0.352D+00 0.548D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=1.41D-08 MaxDP=6.09D-07 DE= 1.05D-11 OVMax= 2.88D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.64D-09    CP:  2.02D+00  1.04D+00  8.86D-01  1.13D+00  8.84D-01
                    CP:  9.33D-01  7.21D-01  9.39D-01  9.44D-01  8.50D-01
                    CP:  7.04D-01
 E= -386.175495165977     Delta-E=       -0.000000000026 Rises=F Damp=F
 DIIS: error= 3.94D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -386.175495165977     IErMin=12 ErrMin= 3.94D-09
 ErrMax= 3.94D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.59D-14 BMatP= 3.15D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.723D-07 0.341D-05-0.796D-06-0.687D-04-0.164D-03-0.593D-03
 Coeff-Com: -0.105D-02-0.235D-02 0.135D-01 0.128D+00 0.297D+00 0.565D+00
 Coeff:      0.723D-07 0.341D-05-0.796D-06-0.687D-04-0.164D-03-0.593D-03
 Coeff:     -0.105D-02-0.235D-02 0.135D-01 0.128D+00 0.297D+00 0.565D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=3.49D-09 MaxDP=1.03D-07 DE=-2.63D-11 OVMax= 6.43D-08

 SCF Done:  E(RB3LYP) =  -386.175495166     A.U. after   12 cycles
            NFock= 12  Conv=0.35D-08     -V/T= 2.0060
 KE= 3.838813780811D+02 PE=-1.749010874744D+03 EE= 5.533364507696D+02
 Leave Link  502 at Thu Aug 12 19:48:41 2021, MaxMem=  5368709120 cpu:            1149.9 elap:             143.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    297 NOA=    33 NOB=    33 NVA=   264 NVB=   264

 **** Warning!!: The largest alpha MO coefficient is  0.10662503D+03

 Leave Link  801 at Thu Aug 12 19:48:42 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5873 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.45D-13 8.33D-09 XBig12= 1.00D+00 5.34D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.45D-13 8.33D-09 XBig12= 4.33D-01 1.16D-01.
     11 vectors produced by pass  2 Test12= 1.45D-13 8.33D-09 XBig12= 5.61D-02 6.32D-02.
     11 vectors produced by pass  3 Test12= 1.45D-13 8.33D-09 XBig12= 3.37D-03 1.58D-02.
     11 vectors produced by pass  4 Test12= 1.45D-13 8.33D-09 XBig12= 2.92D-04 5.47D-03.
     11 vectors produced by pass  5 Test12= 1.45D-13 8.33D-09 XBig12= 5.03D-06 2.98D-04.
     11 vectors produced by pass  6 Test12= 1.45D-13 8.33D-09 XBig12= 1.44D-07 5.42D-05.
     11 vectors produced by pass  7 Test12= 1.45D-13 8.33D-09 XBig12= 1.67D-09 5.35D-06.
     10 vectors produced by pass  8 Test12= 1.45D-13 8.33D-09 XBig12= 1.42D-11 4.42D-07.
      7 vectors produced by pass  9 Test12= 1.45D-13 8.33D-09 XBig12= 1.25D-13 3.95D-08.
      1 vectors produced by pass 10 Test12= 1.45D-13 8.33D-09 XBig12= 1.29D-14 1.39D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   106 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.132377D+03
      2  0.850024D+00  0.106637D+03
      3  0.603501D+00  0.512941D+01  0.759913D+02
 Isotropic polarizability for W=    0.085645      105.00 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.986966D+02  0.437572D+01  0.650105D+01
      2  -0.337231D+02 -0.128101D+02 -0.160031D+02
      3  -0.649734D+02  0.843441D+01  0.950206D+01
      4  -0.143824D+02  0.859972D+02  0.308797D+02
      5   0.332649D+02  0.319955D+02 -0.187382D+02
      6   0.125057D+02  0.943447D+01 -0.645819D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.140532D+01  0.620257D+01  0.459964D+01
      2   0.254645D+01  0.133943D+02 -0.562178D+01
      3  -0.864417D+01 -0.435529D+02 -0.133018D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.111577D+01  0.254376D+02  0.148926D+02
      2  -0.267639D+02  0.183740D+02  0.462352D+02
      3  -0.187582D+02 -0.119720D+03 -0.194898D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.325197D+00 -0.235304D+01  0.527938D+00
      2  -0.235304D+01 -0.276004D+01  0.310803D+01
      3   0.527938D+00  0.310803D+01  0.112203D+01
 OR G Eigenvalues:    -5.4238     1.0392     3.0718  Iso=     0.4376
 Eigenvectors:
   (1)   0.376341   0.824804  -0.421979
   (2)   0.871375  -0.160373   0.463666
   (3)  -0.314759   0.542198   0.779069
 w=    0.085645 a.u., Optical Rotation Beta=      0.4376 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =      169.88 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 1.99D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.21D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.42D-14 2.78D-09 XBig12= 1.00D+00 5.37D-01.
     30 vectors produced by pass  1 Test12= 2.42D-14 2.78D-09 XBig12= 2.43D-02 4.60D-02.
     30 vectors produced by pass  2 Test12= 2.42D-14 2.78D-09 XBig12= 6.29D-04 5.03D-03.
     30 vectors produced by pass  3 Test12= 2.42D-14 2.78D-09 XBig12= 9.46D-06 4.13D-04.
     30 vectors produced by pass  4 Test12= 2.42D-14 2.78D-09 XBig12= 5.80D-08 3.14D-05.
     30 vectors produced by pass  5 Test12= 2.42D-14 2.78D-09 XBig12= 1.47D-10 1.93D-06.
     30 vectors produced by pass  6 Test12= 2.42D-14 2.78D-09 XBig12= 3.43D-13 5.94D-08.
      4 vectors produced by pass  7 Test12= 2.42D-14 2.78D-09 XBig12= 2.19D-15 5.72D-09.
      1 vectors produced by pass  8 Test12= 2.42D-14 2.78D-09 XBig12= 5.83D-16 3.20D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.33D-15
 Solved reduced A of dimension   215 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 6.68D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 6.68D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.19D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132377D+03  0.850024D+00  0.603501D+00
      2   0.850024D+00  0.106637D+03  0.512941D+01
      3   0.603501D+00  0.512941D+01  0.759913D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.140532D+01  0.620257D+01  0.459964D+01
      2   0.254645D+01  0.133943D+02 -0.562178D+01
      3  -0.864417D+01 -0.435529D+02 -0.133018D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.986966D+02  0.437572D+01  0.650105D+01
      2  -0.337231D+02 -0.128101D+02 -0.160031D+02
      3  -0.649734D+02  0.843441D+01  0.950206D+01
      4  -0.143824D+02  0.859972D+02  0.308797D+02
      5   0.332649D+02  0.319955D+02 -0.187382D+02
      6   0.125057D+02  0.943447D+01 -0.645819D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.643628D+01  0.219788D+01 -0.143337D+01  0.418939D+01 -0.242886D+01
      2   0.219788D+01 -0.111191D+01  0.197933D+01 -0.242886D+01  0.963626D+00
      3  -0.143337D+01  0.197933D+01 -0.353244D+01  0.159594D+01 -0.137123D+01
                 6             7             8             9            10 
      1   0.159594D+01  0.745083D+00  0.103007D+01 -0.265955D+01  0.670058D+01
      2  -0.137123D+01  0.103007D+01  0.140634D+01 -0.911552D+00  0.356351D+00
      3  -0.585763D+00 -0.265955D+01 -0.911552D+00  0.447630D+01 -0.120437D+01
                11            12            13            14            15 
      1   0.356351D+00 -0.120437D+01 -0.284070D+00  0.320017D+01 -0.195621D+01
      2   0.481095D+00 -0.150830D+01  0.320017D+01  0.465958D+01  0.429182D+01
      3  -0.150830D+01  0.245186D+01 -0.195621D+01  0.429182D+01  0.126766D+01
                16            17            18            19            20 
      1  -0.528650D+01 -0.161178D+01  0.540227D+01  0.115898D+01  0.484426D-01
      2  -0.161178D+01  0.254897D+01  0.215055D+01  0.484426D-01  0.593394D+00
      3   0.540227D+01  0.215055D+01 -0.211220D+01 -0.442253D+00 -0.108221D+01
                21            22            23            24            25 
      1  -0.442253D+00  0.223321D+00 -0.295640D+00 -0.976132D-01 -0.196118D+01
      2  -0.108221D+01 -0.295640D+00  0.146042D+01 -0.132830D+01  0.115991D+00
      3   0.270046D+01 -0.976132D-01 -0.132830D+01  0.168876D+01 -0.726171D-01
                26            27            28            29            30 
      1   0.115991D+00 -0.726171D-01 -0.707074D+00 -0.147141D+01 -0.525496D+00
      2  -0.191610D+01  0.237975D+01 -0.147141D+01 -0.109628D+01 -0.387502D+00
      3   0.237975D+01 -0.785949D+01 -0.525496D+00 -0.387502D+00 -0.903977D+00
                31            32            33            34            35 
      1  -0.319400D+01 -0.223806D+01 -0.583842D+00 -0.556094D+00 -0.747021D+00
      2  -0.223806D+01 -0.629398D+01 -0.238992D+01 -0.747021D+00 -0.258179D+01
      3  -0.583842D+00 -0.238992D+01 -0.229390D+01 -0.136123D+01 -0.210510D+01
                36            37            38            39            40 
      1  -0.136123D+01  0.100245D+02  0.179518D+01  0.755945D-01  0.149037D+01
      2  -0.210510D+01  0.179518D+01 -0.191331D+01  0.102067D+01 -0.165658D+01
      3  -0.206330D+01  0.755945D-01  0.102067D+01 -0.314248D+01  0.138328D+01
                41            42            43            44            45 
      1  -0.165658D+01  0.138328D+01  0.681894D+01  0.168922D+01 -0.447157D+01
      2  -0.316737D+00 -0.469300D+01  0.168922D+01 -0.315848D+01 -0.124184D+01
      3  -0.469300D+01 -0.620281D+00 -0.447157D+01 -0.124184D+01  0.140163D+01
                46            47            48            49            50 
      1  -0.202607D+02 -0.205424D+01 -0.750166D-01 -0.359945D+01  0.145428D+01
      2  -0.205424D+01 -0.260112D+01  0.438815D+00  0.145428D+01 -0.624600D+00
      3  -0.750166D-01  0.438815D+00 -0.274244D+01  0.116150D+01 -0.192609D+00
                51            52            53            54            55 
      1   0.116150D+01 -0.723639D+00  0.126324D+01 -0.439398D+01 -0.151965D+02
      2  -0.192609D+00  0.126324D+01 -0.563246D+00 -0.615845D+00 -0.189927D+01
      3  -0.872870D-01 -0.439398D+01 -0.615845D+00 -0.760686D+00  0.186616D+01
                56            57            58            59            60 
      1  -0.189927D+01  0.186616D+01 -0.188293D+01 -0.156037D+01  0.221389D+00
      2  -0.116247D+01  0.234691D+00 -0.156037D+01 -0.607409D+00  0.597857D+00
      3   0.234691D+00 -0.150766D+01  0.221389D+00  0.597857D+00 -0.241067D+00
                61            62            63            64            65 
      1  -0.170831D+01 -0.319587D+00 -0.687122D+00 -0.334324D+00  0.615490D+00
      2  -0.319587D+00  0.224061D-01 -0.781139D-01  0.615490D+00  0.389295D+00
      3  -0.687122D+00 -0.781139D-01 -0.173693D+00  0.212457D+00  0.701354D-01
                66            67            68            69            70 
      1   0.212457D+00  0.190382D+01 -0.143341D+00 -0.850878D+00  0.666477D+00
      2   0.701354D-01 -0.143341D+00  0.371869D+01  0.251599D+01 -0.274710D+00
      3   0.895195D+00 -0.850878D+00  0.251599D+01  0.324814D+01 -0.136334D+00
                71            72            73            74            75 
      1  -0.274710D+00 -0.136334D+00 -0.162660D+00 -0.962758D+00  0.553611D+00
      2   0.206522D+01  0.162003D+01 -0.962758D+00  0.124336D+01 -0.870640D+00
      3   0.162003D+01  0.334379D+01  0.553611D+00 -0.870640D+00  0.156944D+01
                76            77            78            79            80 
      1  -0.142368D+01  0.274252D+00 -0.765175D-01  0.358050D+00 -0.281987D+00
      2   0.274252D+00 -0.414453D+01  0.277502D+01 -0.281987D+00  0.209278D+01
      3  -0.765175D-01  0.277502D+01 -0.261296D+01  0.309582D+00 -0.178430D+01
                81            82            83            84            85 
      1   0.309582D+00  0.486638D+01 -0.748137D+00  0.404376D+00  0.945921D+01
      2  -0.178430D+01 -0.748137D+00 -0.395116D+01 -0.711372D+00  0.995388D-01
      3   0.297919D+01  0.404376D+00 -0.711372D+00 -0.204771D+01  0.557513D+00
                86            87            88            89            90 
      1   0.995388D-01  0.557513D+00  0.299924D+01 -0.195672D+00 -0.176003D+01
      2   0.162590D+01 -0.963107D+00 -0.195672D+00 -0.163050D+01  0.314125D+01
      3  -0.963107D+00  0.194679D+01 -0.176003D+01  0.314125D+01  0.125740D+01
                91            92            93            94            95 
      1  -0.528421D+01 -0.844027D+00 -0.351875D+00  0.583355D+01  0.345989D+00
      2  -0.844027D+00  0.288868D+01 -0.214806D+00  0.345989D+00  0.127102D+01
      3  -0.351875D+00 -0.214806D+00  0.992311D+00 -0.318564D+00 -0.119440D+01
                96            97            98            99           100 
      1  -0.318564D+00  0.626127D+00 -0.746246D+00  0.200056D+01  0.672417D+01
      2  -0.119440D+01 -0.746246D+00 -0.127852D+01  0.391532D+01  0.483180D+00
      3   0.234807D+01  0.200056D+01  0.391532D+01  0.262500D+01 -0.412374D+00
               101           102           103           104           105 
      1   0.483180D+00 -0.412374D+00  0.120285D+01 -0.770448D+00 -0.129089D+01
      2   0.356097D+01  0.407690D-01 -0.770448D+00  0.193721D+00 -0.583527D+00
      3   0.407690D-01  0.331066D+01 -0.129089D+01 -0.583527D+00  0.257931D+00
               106           107           108           109           110 
      1  -0.300150D-01 -0.131768D+01  0.556094D+01 -0.363579D+01 -0.751040D+00
      2  -0.131768D+01  0.855971D-01  0.485443D+00 -0.751040D+00  0.322300D+01
      3   0.556094D+01  0.485443D+00  0.114530D+01 -0.586409D+00  0.875404D+00
               111           112           113           114           115 
      1  -0.586409D+00 -0.676385D+01 -0.867438D+00 -0.103105D+01 -0.198225D+01
      2   0.875404D+00 -0.867438D+00 -0.899272D+00  0.137149D+01 -0.642352D+00
      3   0.191876D+01 -0.103105D+01  0.137149D+01 -0.227157D+01  0.299280D+01
               116           117           118           119           120 
      1  -0.642352D+00  0.299280D+01  0.677520D+01  0.270699D+01  0.110169D+01
      2   0.185098D+01 -0.330460D+01  0.270699D+01 -0.289597D+01 -0.213036D+00
      3  -0.330460D+01 -0.160468D+01  0.110169D+01 -0.213036D+00 -0.107546D+01
               121           122           123           124           125 
      1  -0.770568D+01 -0.564599D+00  0.161967D+00 -0.863384D+00  0.106792D+01
      2  -0.564599D+00 -0.187313D+01  0.118513D+01  0.106792D+01  0.114572D+01
      3   0.161967D+00  0.118513D+01 -0.211935D+01 -0.104935D+01 -0.355851D+01
               126           127           128           129           130 
      1  -0.104935D+01 -0.327260D+01  0.232792D+01  0.233782D+00  0.239858D+01
      2  -0.355851D+01  0.232792D+01 -0.278654D+01 -0.316706D+00 -0.290621D+01
      3  -0.279531D+01  0.233782D+00 -0.316706D+00 -0.382738D+00 -0.536123D+00
               131           132           133           134           135 
      1  -0.290621D+01 -0.536123D+00  0.208644D+00 -0.463262D+00 -0.116050D-01
      2   0.593798D+01  0.833226D+00 -0.463262D+00  0.103613D+01  0.188006D+00
      3   0.833226D+00  0.729474D+00 -0.116050D-01  0.188006D+00  0.194720D+00
               136           137           138           139           140 
      1   0.229176D+01  0.266907D+01  0.654087D+00  0.232042D+01  0.387365D+01
      2   0.266907D+01  0.290797D+01  0.682905D+00  0.387365D+01  0.946657D+01
      3   0.654087D+00  0.682905D+00  0.453028D+00  0.886068D+00  0.201488D+01
               141           142           143           144           145 
      1   0.886068D+00  0.712474D+00  0.100672D+01  0.236615D+00  0.132936D+02
      2   0.201488D+01  0.100672D+01  0.215461D+01  0.431513D+00  0.127032D+01
      3   0.117506D+01  0.236615D+00  0.431513D+00  0.250285D+00  0.100888D+01
               146           147           148           149           150 
      1   0.127032D+01  0.100888D+01  0.116514D+01  0.168847D+01  0.447162D+00
      2   0.823818D+00  0.954776D-01  0.168847D+01  0.463866D+00  0.157007D+00
      3   0.954776D-01  0.818276D+00  0.447162D+00  0.157007D+00  0.134997D+00
               151           152           153           154           155 
      1   0.105301D+01  0.424250D+00  0.120050D-01  0.500797D+01 -0.397266D+01
      2   0.424250D+00  0.107625D+00  0.170900D-01 -0.397266D+01  0.362391D+01
      3   0.120050D-01  0.170900D-01  0.129639D+00 -0.593002D+00  0.465615D+00
               156           157           158           159           160 
      1  -0.593002D+00 -0.378916D+01  0.456565D+01  0.827564D+00 -0.596495D+00
      2   0.465615D+00  0.456565D+01 -0.666357D+01 -0.109124D+01  0.702070D+00
      3   0.534379D+00  0.827564D+00 -0.109124D+01 -0.800091D+00  0.159812D+00
               161           162           163           164           165 
      1   0.702070D+00  0.159812D+00 -0.155305D+01 -0.176727D+01 -0.486464D+00
      2  -0.130507D+01 -0.175495D+00 -0.176727D+01 -0.221674D+01 -0.599224D+00
      3  -0.175495D+00 -0.141185D+00 -0.486464D+00 -0.599224D+00 -0.309463D+00
               166           167           168           169           170 
      1  -0.154382D+01 -0.207045D+01 -0.500698D+00 -0.480180D+00 -0.699186D+00
      2  -0.207045D+01 -0.833815D+01 -0.193508D+01 -0.699186D+00 -0.208266D+01
      3  -0.500698D+00 -0.193508D+01 -0.116462D+01 -0.711866D-01 -0.553594D+00
               171 
      1  -0.711866D-01
      2  -0.553594D+00
      3  -0.292725D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.584687D+00  0.305356D+01  0.291108D+01  0.147068D+00 -0.345608D+01
      2  -0.430101D+01 -0.407184D+01  0.140148D+02 -0.427388D+00  0.644842D+00
      3   0.415233D+01 -0.105263D+02  0.584414D+01 -0.291483D+01  0.487783D+01
                 6             7             8             9            10 
      1  -0.247260D+01 -0.157626D+01  0.456036D+01 -0.589608D+01 -0.137112D+01
      2   0.200391D+01  0.615466D+01  0.451976D+01 -0.119540D+02  0.451857D+01
      3  -0.273482D+01  0.316248D+01  0.144462D+01 -0.471260D+01 -0.299025D+01
                11            12            13            14            15 
      1  -0.343881D+00 -0.843471D-01  0.210678D+01  0.376480D+01 -0.327490D+00
      2   0.218004D+01 -0.406375D+01  0.580105D+00 -0.843446D+01 -0.284956D+01
      3   0.136745D+01 -0.761854D+00  0.129470D+02  0.598193D+01  0.102807D+02
                16            17            18            19            20 
      1   0.424875D+01  0.283855D+01 -0.689561D+00 -0.240703D+00 -0.460831D+00
      2  -0.173553D+02 -0.573660D+01  0.362859D+01  0.558004D+01  0.226558D+01
      3   0.385684D+00  0.971670D+01  0.152061D+01  0.224767D+01  0.225092D+01
                21            22            23            24            25 
      1  -0.227079D+01 -0.232910D+00 -0.115453D+00 -0.144078D+01 -0.441411D+00
      2  -0.660395D+01  0.405427D+00  0.269337D+01 -0.436151D+01 -0.545916D+01
      3  -0.316981D+01  0.169770D+01  0.299673D+01 -0.275939D+01 -0.122475D+01
                26            27            28            29            30 
      1   0.100857D+01  0.513430D+01 -0.587652D+00 -0.217330D+00 -0.113786D+01
      2  -0.607777D+01  0.178396D+02  0.932571D+00  0.486391D+00  0.264916D+01
      3  -0.383558D+01  0.850750D+01 -0.337709D+01 -0.277176D+01 -0.597801D+00
                31            32            33            34            35 
      1  -0.516570D+00  0.597238D+00 -0.372213D+01 -0.898820D+00  0.578807D+00
      2  -0.186826D+00  0.421475D+01  0.469729D+01  0.718962D+00  0.295531D+01
      3   0.122473D+01 -0.123598D+02 -0.491526D+01  0.193521D+00 -0.503656D+01
                36            37            38            39            40 
      1  -0.230986D+01  0.307838D+01 -0.347618D+01 -0.354117D+00 -0.471676D-01
      2   0.351652D+01 -0.136898D+02 -0.497245D+01  0.121103D+02 -0.386494D+01
      3  -0.306231D+01  0.124207D+01 -0.100065D+02  0.174022D+01 -0.230908D+01
                41            42            43            44            45 
      1  -0.255131D+01 -0.106996D+02 -0.224903D+01 -0.504764D+01 -0.154386D+00
      2   0.149862D+02  0.592005D+00  0.728765D+01  0.260087D+01  0.972693D+00
      3   0.154916D-01 -0.155926D+02 -0.570466D+00 -0.136219D+02 -0.178974D+00
                46            47            48            49            50 
      1  -0.887600D+00 -0.284730D-01  0.104470D+00 -0.112190D+01 -0.387749D+01
      2  -0.443985D+01 -0.889103D+00 -0.100056D+01 -0.159732D+01  0.835456D+00
      3   0.145530D+01  0.655247D+01  0.127800D+01  0.195508D+02  0.174761D+01
                51            52            53            54            55 
      1   0.136063D+01 -0.666132D+00  0.107087D+02  0.267533D+01 -0.103054D+01
      2   0.474243D+00 -0.158462D+02  0.706557D+00 -0.764696D+00  0.104715D+02
      3  -0.142973D+01  0.176175D+00 -0.810331D+00  0.627939D-01  0.278569D+01
                56            57            58            59            60 
      1  -0.195018D+01 -0.122751D+01 -0.167569D+01 -0.193572D+00 -0.163723D+00
      2   0.131444D+01  0.633939D+01  0.144645D+01 -0.442906D+00  0.954587D+00
      3  -0.581849D+01 -0.232849D+00 -0.223791D+01 -0.103063D+01  0.168380D+01
                61            62            63            64            65 
      1  -0.537780D+00  0.979832D+00 -0.229761D+00  0.168506D+01  0.136885D+01
      2   0.143968D+01  0.185537D+00  0.108009D+01 -0.158317D+01 -0.126207D+01
      3  -0.164746D+00  0.136790D+01  0.361095D+00  0.280607D+01  0.119666D+01
                66            67            68            69            70 
      1   0.177977D+00  0.513727D+00  0.810387D+01  0.330187D+01 -0.231059D+00
      2  -0.210877D+01 -0.163040D+01 -0.743429D+01 -0.771465D+01 -0.204277D+01
      3   0.240981D+00  0.208395D+01  0.109902D+02  0.730454D+01 -0.400385D+00
                71            72            73            74            75 
      1   0.568676D+01  0.376064D+01 -0.139777D+01  0.208289D+01  0.443257D+00
      2  -0.432919D+01 -0.798728D+01 -0.295369D+01  0.307973D+01 -0.348926D+01
      3   0.607393D+01  0.465080D+01 -0.366630D+01  0.376862D+01 -0.225163D+01
                76            77            78            79            80 
      1   0.103032D+01 -0.478884D+01  0.394268D+00  0.290770D+00  0.364522D+01
      2   0.317176D+01 -0.797207D+01  0.652137D+01 -0.325170D+01  0.486516D+01
      3   0.427043D+01 -0.105184D+02  0.716901D+01 -0.109691D+01  0.566746D+01
                81            82            83            84            85 
      1  -0.352701D+00 -0.282134D+00 -0.616608D+00  0.368553D+01 -0.104525D+01
      2  -0.735707D+01  0.218159D+01  0.340065D+00 -0.164843D+01  0.420771D+01
      3  -0.509955D+01 -0.135836D+01  0.123213D+01  0.812848D+00  0.134766D+01
                86            87            88            89            90 
      1   0.452217D+00 -0.246733D+01  0.753868D+01  0.308662D+01  0.658418D+00
      2   0.643053D+00  0.625407D+00 -0.122735D+02 -0.104647D+00  0.339135D+00
      3  -0.725728D+01  0.786206D+00 -0.179036D+01  0.276148D+00 -0.615448D+01
                91            92            93            94            95 
      1  -0.557600D-01  0.128041D+01 -0.266638D+01  0.157837D+01  0.111399D+00
      2  -0.762623D+00  0.252075D+01  0.181182D+00  0.121568D+01 -0.329641D+01
      3   0.406170D+01 -0.135985D+02 -0.234664D+01  0.309334D+01 -0.929840D+00
                96            97            98            99           100 
      1  -0.388825D+01 -0.513000D+01  0.854862D+00 -0.132998D+01  0.357798D+00
      2   0.604745D+01 -0.850536D+01  0.914282D+01  0.426098D+01  0.252524D+00
      3   0.191037D+01 -0.371310D+00  0.246787D+01 -0.464952D+01 -0.293937D+01
               101           102           103           104           105 
      1  -0.583220D+00 -0.121420D+01 -0.126104D+01 -0.274286D+01  0.270710D+01
      2  -0.528036D+00  0.910020D+01 -0.501165D+01 -0.126371D+00  0.121328D+01
      3  -0.752860D+01  0.348068D+00  0.125575D+02 -0.184251D+01  0.148410D+01
               106           107           108           109           110 
      1  -0.222021D+01  0.114741D+02  0.289715D+01 -0.365875D+00 -0.107255D+01
      2   0.844779D+01  0.222663D+01  0.258856D+01 -0.937920D+00  0.186157D+01
      3   0.401800D+01  0.100298D+01 -0.721166D+00  0.370864D+01 -0.113416D+02
               111           112           113           114           115 
      1   0.360425D+01 -0.143385D+01 -0.170839D+00 -0.232960D+01  0.713175D+01
      2   0.280255D+01 -0.741184D+00  0.370423D+01 -0.681098D+01 -0.399302D+01
      3  -0.196351D+01  0.750501D+01  0.152847D+01 -0.239037D+01 -0.751492D-01
               116           117           118           119           120 
      1   0.349507D+01  0.125117D+01  0.270969D+00  0.139986D+01 -0.273607D+01
      2  -0.102506D+02 -0.429311D+01  0.346640D+01  0.136613D+01 -0.160337D+01
      3  -0.356049D+01  0.432949D+01 -0.554259D+01 -0.235818D+01 -0.225337D+01
               121           122           123           124           125 
      1   0.118413D+01  0.105782D+01 -0.308538D+01 -0.531105D+01  0.103992D+01
      2   0.172051D+01 -0.691550D+00 -0.118764D+01 -0.135353D+02 -0.141712D+01
      3   0.266251D+01  0.671018D+01  0.598788D-02 -0.176686D+01 -0.490963D+00
               126           127           128           129           130 
      1  -0.117434D+01  0.241502D+00 -0.561561D+00  0.219448D+01  0.208833D+00
      2  -0.264551D+01  0.166006D+01 -0.737448D+00  0.776867D+00 -0.758587D+00
      3   0.539719D+01 -0.909401D+01  0.356217D+01  0.256213D+00  0.654029D+01
               131           132           133           134           135 
      1  -0.806573D-01 -0.306725D+01 -0.142322D+00  0.197061D+01 -0.189108D+00
      2   0.114186D+01 -0.121377D+01 -0.168673D+01  0.448309D+00 -0.295499D+00
      3  -0.508897D+01 -0.124884D+01 -0.261894D+00 -0.102217D+01 -0.183873D+00
               136           137           138           139           140 
      1  -0.169916D+00  0.751643D-01 -0.163102D+01 -0.168053D+00  0.470192D+00
      2   0.245653D+00  0.593383D+00  0.161252D+01  0.550103D+00  0.286133D+01
      3  -0.768942D+00 -0.267104D+01 -0.452722D+00 -0.139524D+01 -0.135913D+02
               141           142           143           144           145 
      1  -0.429509D+01  0.571874D+00  0.199069D+01 -0.574952D+00 -0.109422D+00
      2   0.310571D+01 -0.591166D+00  0.151229D-01  0.661063D+00  0.117769D+01
      3  -0.263091D+01 -0.338859D+00 -0.313365D+01 -0.594842D+00 -0.706767D+00
               146           147           148           149           150 
      1   0.366405D+00 -0.571247D+00  0.551342D-01  0.430937D-01 -0.477936D+00
      2   0.182577D-01  0.594341D+01  0.156713D+01  0.352919D+00  0.817574D+00
      3  -0.527853D+01  0.161383D-01 -0.390686D+01 -0.131234D+01 -0.406607D+00
               151           152           153           154           155 
      1   0.394010D+00  0.520535D+00 -0.387412D-01  0.157295D+00 -0.531901D+00
      2  -0.295000D+01 -0.191248D+00  0.375277D+00  0.145060D-01  0.658289D-01
      3  -0.118007D+01 -0.707866D+00 -0.204312D-02  0.145984D+01 -0.489490D+01
               156           157           158           159           160 
      1   0.217706D+01  0.288083D+00  0.151890D+00 -0.330506D+01 -0.880514D+00
      2   0.274557D+01  0.830622D+00 -0.153908D+01 -0.319169D+01 -0.801722D+00
      3  -0.233998D+00 -0.343742D+01  0.109879D+02  0.142129D+01 -0.101437D+01
               161           162           163           164           165 
      1   0.165416D+01 -0.324144D+00  0.122801D+00  0.215582D+00 -0.140456D+01
      2   0.537556D+00 -0.389592D+00 -0.153160D+01 -0.106605D+01  0.239009D+00
      3   0.218038D+01  0.167090D+00  0.610104D+01  0.354599D+01  0.115808D+01
               166           167           168           169           170 
      1   0.886096D-01  0.659421D+00 -0.401854D+01  0.532087D+00  0.227236D+01
      2  -0.147721D+01 -0.214091D+01  0.276979D+00 -0.194749D+01 -0.525003D+00
      3   0.691106D+01  0.852327D+01  0.236543D+01  0.232027D+01  0.202149D+01
               171 
      1  -0.543898D+00
      2   0.121422D+00
      3   0.362787D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.277995D+02 -0.184376D+01 -0.214095D+01 -0.934635D+01  0.323052D+01
      2  -0.162233D+02 -0.175173D+01 -0.665983D+01  0.389876D+01  0.806956D+01
      3  -0.115762D+02  0.359550D+01  0.880078D+01  0.544759D+01 -0.113001D+02
      4  -0.156160D+02  0.166561D+02 -0.763207D+01  0.204048D+02 -0.113164D+02
      5   0.127795D+02 -0.880862D+01  0.249140D+02 -0.126433D+02  0.945597D+01
      6  -0.527225D+01  0.428342D+01 -0.708837D+01  0.789442D+01 -0.338559D+01
                 6             7             8             9            10 
      1  -0.691534D+01 -0.994943D+00 -0.363254D+01  0.197813D+02  0.528474D+01
      2   0.287929D+01 -0.302716D+01 -0.257420D+01 -0.496814D+01  0.144060D+01
      3   0.403605D+01  0.402210D+01  0.620674D+01 -0.148131D+02 -0.672534D+01
      4   0.941053D+01 -0.656918D+01 -0.507407D+00 -0.487273D+00  0.362278D+01
      5  -0.324567D+01  0.202939D+02  0.934696D+00 -0.757992D+01  0.617067D+01
      6   0.506216D+01 -0.377062D+01  0.135580D+01  0.498142D+01  0.293812D+01
                11            12            13            14            15 
      1   0.173263D+01 -0.311340D+01  0.119048D+02  0.197973D+01  0.781602D+01
      2   0.311140D+00 -0.240386D+01 -0.873315D+01 -0.975852D+01 -0.142650D+02
      3  -0.204377D+01  0.551726D+01 -0.317168D+01  0.777879D+01  0.644902D+01
      4  -0.122587D+02  0.498881D+01 -0.181213D+02 -0.174935D+02 -0.214225D+02
      5   0.516747D+01 -0.188324D+02  0.150262D+02 -0.201238D+02 -0.213291D+01
      6  -0.362979D+00 -0.149018D+00 -0.871774D+01 -0.105738D+02 -0.613982D+01
                16            17            18            19            20 
      1   0.702986D+01  0.786861D+01 -0.905049D+01 -0.268913D+01 -0.366780D+01
      2  -0.123418D+02 -0.629530D+01  0.942608D+01  0.543457D+00  0.296495D+00
      3   0.531192D+01 -0.157330D+01 -0.375596D+00  0.214567D+01  0.337130D+01
      4   0.129783D+02 -0.151930D+02 -0.922967D+01  0.466290D+00 -0.284266D+01
      5  -0.357662D+02 -0.904367D+01  0.768425D+01  0.107966D+01  0.242396D+01
      6  -0.658330D+01 -0.835999D+01  0.148011D+01 -0.399280D+00 -0.262751D+01
                21            22            23            24            25 
      1   0.109592D+02 -0.162131D+01 -0.512352D+01  0.526286D+01  0.693865D+01
      2   0.692238D+00  0.135984D+00  0.198389D+01 -0.116821D+01 -0.309605D+01
      3  -0.116514D+02  0.148532D+01  0.313963D+01 -0.409464D+01 -0.384260D+01
      4   0.161269D+01  0.264940D+01 -0.493388D+01  0.393556D+01 -0.272344D+01
      5  -0.662640D+01 -0.667687D+00  0.387507D+01 -0.613110D+01  0.470197D+01
      6   0.495014D+01  0.457906D-01 -0.441007D+01  0.796799D+01  0.580767D+00
                26            27            28            29            30 
      1   0.670676D+01 -0.220818D+02  0.323257D+01  0.325912D+01  0.264163D+01
      2   0.559132D+00 -0.765677D+01  0.665598D+00 -0.116648D+00 -0.148994D+00
      3  -0.726590D+01  0.297386D+02 -0.389817D+01 -0.314247D+01 -0.249264D+01
      4   0.499832D+01 -0.730332D+01  0.911195D+01  0.110860D+02  0.362625D+01
      5  -0.849602D+01  0.254018D+02  0.371193D+01  0.362044D+01  0.755957D+01
      6   0.736137D+01 -0.134455D+02  0.425138D+01  0.193932D+01  0.161688D+01
                31            32            33            34            35 
      1   0.142968D+01 -0.101142D+02 -0.480533D+01  0.576232D+00 -0.550485D+01
      2   0.289559D+01  0.185036D+02  0.631844D+01  0.120008D+01  0.437400D+01
      3  -0.432527D+01 -0.838937D+01 -0.151311D+01 -0.177631D+01  0.113085D+01
      4   0.140744D+02  0.285322D+02  0.107507D+02  0.501842D+01  0.113957D+02
      5   0.394772D+01  0.104457D+02  0.105603D+02  0.917987D+01  0.880907D+01
      6   0.441666D+01  0.148907D+02  0.980521D+01  0.429876D+01  0.116988D+02
                36            37            38            39            40 
      1  -0.460088D+01 -0.622237D+02 -0.144800D+02  0.966251D+01 -0.134630D+02
      2   0.102858D+01  0.263433D+02  0.852981D+01  0.137935D+00  0.725548D+01
      3   0.357230D+01  0.358804D+02  0.595020D+01 -0.980044D+01  0.620747D+01
      4   0.925635D+01 -0.194056D+02  0.899904D+01 -0.290478D+01  0.747611D+01
      5   0.851345D+01  0.132680D+02 -0.517562D+00  0.153563D+02 -0.314968D+01
      6   0.936116D+01  0.412939D+01 -0.706060D+01  0.355882D+01 -0.263744D+01
                41            42            43            44            45 
      1   0.193505D+02 -0.412439D+01 -0.536354D+01 -0.668548D+01  0.145517D+02
      2  -0.409206D+01  0.102166D+02  0.133274D+02  0.920906D+01 -0.145877D+02
      3  -0.152584D+02 -0.609224D+01 -0.796388D+01 -0.252358D+01  0.359228D-01
      4   0.494920D+01  0.208511D+02 -0.900431D+01  0.159107D+02  0.841552D+01
      5   0.158542D+02  0.549424D+01  0.276784D+02  0.829176D+01 -0.127284D+02
      6   0.201976D+01 -0.136522D+02  0.740391D+01 -0.980441D+01 -0.298833D+01
                46            47            48            49            50 
      1  -0.157159D+02 -0.306643D+01 -0.394670D+01  0.153428D+01 -0.633447D+01
      2   0.191850D+01  0.225991D+01 -0.916835D+00 -0.341880D+01  0.133494D+02
      3   0.137974D+02  0.806521D+00  0.486353D+01  0.188452D+01 -0.701496D+01
      4   0.233417D+01  0.536157D+01 -0.166002D+01 -0.778546D+01 -0.558802D+00
      5  -0.751908D+01 -0.197766D+01  0.370190D+01 -0.435995D+01  0.181827D+01
      6  -0.457590D+01  0.596557D+00  0.552964D+00 -0.272964D+01  0.590181D+01
                51            52            53            54            55 
      1  -0.759896D+00 -0.760311D+01 -0.190627D+01 -0.790630D+01  0.912938D+02
      2   0.674363D+01 -0.750955D+00  0.388081D+01 -0.429437D+01 -0.462209D+02
      3  -0.598373D+01  0.835406D+01 -0.197454D+01  0.122007D+02 -0.450729D+02
      4   0.165843D+01 -0.532183D+01  0.275089D+01  0.178371D+01  0.222826D+02
      5   0.738227D+00  0.710899D+01  0.128474D+01 -0.406106D+00 -0.298796D+02
      6  -0.269099D+01  0.550137D+00  0.733946D+01 -0.314441D+01 -0.451605D+01
                56            57            58            59            60 
      1   0.946329D+01 -0.574020D+01  0.818985D+01  0.602234D+01  0.479756D+00
      2  -0.316033D+01  0.675424D+01 -0.226102D+01 -0.219598D+01 -0.234749D+00
      3  -0.630296D+01 -0.101404D+01 -0.592883D+01 -0.382636D+01 -0.245007D+00
      4   0.132873D+02 -0.228657D+01  0.148937D+02  0.539930D+01 -0.314289D+01
      5  -0.367060D+01  0.144973D+02 -0.318429D+01 -0.411989D+01  0.173231D+01
      6  -0.335389D+01  0.241816D+01 -0.263121D+01 -0.137032D+01  0.315687D+01
                61            62            63            64            65 
      1   0.734709D+01  0.159464D+01  0.480615D+01  0.432282D+01 -0.227290D+01
      2  -0.129628D+01 -0.610982D+00 -0.330638D+01 -0.234918D+01  0.106299D+01
      3  -0.605081D+01 -0.983660D+00 -0.149977D+01 -0.197364D+01  0.120991D+01
      4   0.260322D+01 -0.351776D+00  0.137998D+01 -0.150487D+01 -0.328781D+00
      5   0.786421D+01  0.693980D+00 -0.706006D+00 -0.187164D+01  0.173739D+01
      6   0.121305D+01  0.203487D+01 -0.383260D-01  0.220906D+01  0.171011D+01
                66            67            68            69            70 
      1  -0.506602D+01 -0.596845D+01 -0.861348D+01 -0.559075D+01 -0.332196D+01
      2   0.177534D+00  0.419949D+01  0.137271D+01 -0.531360D+01  0.230585D+01
      3   0.488849D+01  0.176896D+01  0.724077D+01  0.109043D+02  0.101611D+01
      4   0.327975D+00  0.274277D+01 -0.188971D+02 -0.125328D+02  0.136952D+01
      5  -0.760227D+00  0.788212D+01 -0.104292D+02 -0.146343D+02  0.440007D+01
      6   0.915529D-01 -0.707045D+00  0.132016D+02  0.108085D+02 -0.679369D+00
                71            72            73            74            75 
      1  -0.439470D+01 -0.100127D+02  0.149541D+00  0.851387D+01 -0.781278D+01
      2  -0.423511D+01 -0.555173D+01  0.553734D+00 -0.528417D+01  0.156695D+01
      3   0.862981D+01  0.155645D+02 -0.703275D+00 -0.322970D+01  0.624584D+01
      4  -0.105228D+02 -0.822280D+01  0.231911D+01 -0.230907D+01  0.138942D+01
      5  -0.693233D+01 -0.133674D+02 -0.357507D+00 -0.296448D+00 -0.247747D+01
      6   0.998180D+01  0.781847D+01 -0.356610D+01  0.557162D+01 -0.471916D+01
                76            77            78            79            80 
      1   0.834256D+01 -0.179202D+02  0.119978D+02 -0.373393D+01  0.986943D+01
      2  -0.452116D+01  0.141139D+02 -0.445245D+01  0.909309D+00 -0.263559D+01
      3  -0.382141D+01  0.380627D+01 -0.754536D+01  0.282462D+01 -0.723383D+01
      4   0.284012D+01  0.157775D+02 -0.110478D+02 -0.117741D+00 -0.846364D+01
      5  -0.420376D+01 -0.831334D+01  0.848440D+01  0.271103D+01  0.526897D+01
      6   0.104100D+01 -0.174316D+02  0.149289D+02 -0.155362D+01  0.130438D+02
                81            82            83            84            85 
      1  -0.144779D+02  0.133569D+01  0.168973D+02  0.455554D+01 -0.504568D+01
      2   0.695837D+00 -0.167988D+01 -0.117312D+02  0.130012D+01  0.143584D+02
      3   0.137821D+02  0.344183D+00 -0.516617D+01 -0.585566D+01 -0.931269D+01
      4   0.606183D+01  0.965414D+01 -0.142257D+02 -0.793809D+00  0.185297D+01
      5  -0.887317D+01  0.259900D+01 -0.135975D+01 -0.304834D+01  0.295398D+01
      6  -0.121224D+02  0.228931D+01 -0.368471D+00 -0.730613D+01  0.840230D+01
                86            87            88            89            90 
      1   0.255502D+00  0.514462D+01 -0.222638D+01  0.550125D+01 -0.140810D+02
      2  -0.455284D+01 -0.304903D+01  0.789536D+01 -0.702742D+01  0.230956D+01
      3   0.429734D+01 -0.209560D+01 -0.566898D+01  0.152617D+01  0.117715D+02
      4   0.136289D+02  0.298690D+01  0.321687D+01  0.757358D+00  0.337471D+01
      5   0.281661D+01 -0.166976D+01  0.250346D+01  0.229438D+01 -0.120546D+01
      6  -0.550752D+01  0.588461D+01 -0.342804D+01  0.114376D+02 -0.312166D+00
                91            92            93            94            95 
      1   0.762423D+01 -0.214975D+02 -0.241818D+01  0.233478D+02  0.113918D+02
      2  -0.784875D+01  0.137186D+02  0.714082D-01 -0.208796D+02 -0.155797D+02
      3   0.224525D+00  0.777890D+01  0.234677D+01 -0.246827D+01  0.418783D+01
      4  -0.144560D+02 -0.552148D+01 -0.305174D+01  0.117195D+02 -0.373306D+01
      5  -0.519265D+01 -0.178208D+01 -0.282795D+01 -0.173326D+00 -0.728964D+01
      6  -0.419823D+01 -0.229054D+01  0.516571D+01 -0.548019D+01 -0.111479D+02
                96            97            98            99           100 
      1   0.307896D+01  0.472961D+01  0.339036D+00 -0.613693D+01 -0.122365D+02
      2  -0.724336D+01 -0.781802D+01 -0.871791D+01 -0.484586D+01  0.764246D+01
      3   0.416441D+01  0.308841D+01  0.837887D+01  0.109828D+02  0.459402D+01
      4  -0.700914D+01 -0.359675D+01 -0.976745D+01  0.139899D+02 -0.249871D+01
      5   0.123183D+02  0.131526D+02  0.142972D+02  0.941243D+01 -0.443050D+01
      6   0.684801D+01  0.546590D+01  0.145137D+02  0.357847D+01  0.533159D+00
               101           102           103           104           105 
      1  -0.439147D+01 -0.565523D+01  0.100312D+02 -0.202246D+02 -0.720658D+01
      2   0.352883D+01  0.197952D+01 -0.862266D+01  0.180211D+02  0.102043D+02
      3   0.862645D+00  0.367571D+01 -0.140858D+01  0.220356D+01 -0.299768D+01
      4   0.247785D+02  0.993958D-01 -0.202673D+02 -0.326928D+01 -0.336173D+01
      5  -0.213439D+00  0.211846D+02 -0.124979D+02 -0.136221D+01  0.247150D+01
      6   0.413326D+00  0.262735D+01 -0.262005D+01  0.390813D+01 -0.508720D+01
               106           107           108           109           110 
      1  -0.401297D+01 -0.809116D+01  0.144481D+02 -0.204150D+01  0.241042D+02
      2  -0.312215D+00  0.578200D+01 -0.174145D+02 -0.271444D+01 -0.148433D+02
      3   0.432518D+01  0.230916D+01  0.296641D+01  0.475594D+01 -0.926089D+01
      4  -0.130161D+02 -0.121524D+01  0.235388D+01  0.151490D+02  0.281080D+01
      5   0.364194D+02  0.319475D+01  0.577187D+01 -0.335076D+00  0.532492D+00
      6   0.157680D+01  0.649112D+01 -0.426487D+01  0.114585D+00 -0.979208D+00
               111           112           113           114           115 
      1   0.493863D+01 -0.294617D+02  0.335578D+01  0.798307D+00 -0.843140D+01
      2   0.106922D+01  0.281345D+02 -0.735732D+01 -0.142114D+01  0.100592D+02
      3  -0.600785D+01  0.132718D+01  0.400154D+01  0.622834D+00 -0.162781D+01
      4   0.201008D+01  0.732001D+00  0.105955D+02  0.984010D+01 -0.234233D+01
      5   0.572381D+01 -0.534261D+01  0.844489D+01 -0.142460D+02  0.199198D+02
      6  -0.853678D+01  0.735982D+01 -0.645780D+01  0.516299D+01 -0.657329D+01
               116           117           118           119           120 
      1   0.408121D+01  0.193625D+01  0.122380D+02 -0.102011D+02  0.757137D+00
      2  -0.803941D+01 -0.855183D+01 -0.689960D+01  0.742622D+01 -0.170926D+01
      3   0.395820D+01  0.661558D+01 -0.533843D+01  0.277490D+01  0.952124D+00
      4   0.886716D+01 -0.152519D+02 -0.397995D+01 -0.197507D+02 -0.301267D+01
      5  -0.150331D+02 -0.889438D+01  0.175231D+01 -0.218105D+01 -0.633788D+01
      6   0.126640D+02 -0.580776D+00 -0.102505D+01 -0.234323D+01  0.633300D+01
               121           122           123           124           125 
      1   0.163408D+01  0.826119D+01  0.384464D+01  0.191974D+01  0.322831D+01
      2  -0.108070D+02 -0.123370D+02 -0.789388D+01 -0.435529D+01 -0.101495D+02
      3   0.917289D+01  0.407582D+01  0.404924D+01  0.243555D+01  0.692122D+01
      4   0.109366D+02 -0.144488D+02 -0.273818D+01 -0.100752D+01 -0.335585D+01
      5  -0.120489D+01 -0.290214D+01 -0.185007D+00  0.418790D+01 -0.591340D+01
      6  -0.595803D+01 -0.104155D+02  0.432200D+01  0.144771D+01  0.130030D+02
               126           127           128           129           130 
      1  -0.156291D+02 -0.494179D+01  0.746792D+01  0.845373D+00  0.859471D+01
      2  -0.574477D-01  0.681100D+01 -0.108245D+02 -0.113107D+01 -0.116253D+02
      3   0.156865D+02 -0.186921D+01  0.335662D+01  0.285696D+00  0.303058D+01
      4  -0.723766D+01 -0.883181D+01  0.883988D+01  0.103232D+01  0.809725D+01
      5  -0.435031D+01 -0.885762D+00  0.111137D+01  0.195849D+01  0.134542D+01
      6   0.475221D+01  0.890741D+00 -0.133069D+01 -0.212178D+01 -0.240507D+01
               131           132           133           134           135 
      1  -0.209526D+02 -0.345112D+01  0.162932D+01 -0.347222D+01 -0.653783D+00
      2   0.284822D+02  0.283114D+01 -0.209865D+01  0.411405D+01  0.137289D+01
      3  -0.752958D+01  0.619976D+00  0.469323D+00 -0.641829D+00 -0.719103D+00
      4  -0.942855D+01 -0.109283D+01  0.126326D+01 -0.116003D+01 -0.182194D+01
      5  -0.136994D+01 -0.136905D+01  0.831739D+00 -0.549426D+00 -0.817060D+00
      6   0.461208D+01  0.486371D+01 -0.740080D+00  0.189713D+01  0.148147D+01
               136           137           138           139           140 
      1   0.538297D+01  0.480332D+01  0.902876D+00 -0.123514D+01 -0.159178D+02
      2   0.351941D+01  0.527980D+01  0.485309D+00  0.118882D+02  0.380140D+02
      3  -0.890239D+01 -0.100831D+02 -0.138818D+01 -0.106530D+02 -0.220962D+02
      4   0.189513D+02  0.238797D+02  0.510967D+01  0.245585D+02  0.471785D+02
      5   0.433525D+01  0.509501D+01  0.469559D+01  0.532846D+01  0.954121D+01
      6   0.337039D+01  0.400420D+01  0.269829D+01  0.539980D+01  0.130275D+02
               141           142           143           144           145 
      1  -0.352260D+01  0.105293D+00 -0.295632D+01 -0.162219D+01  0.101011D+03
      2   0.559651D+01  0.205872D+01  0.731020D+01  0.274956D+01 -0.568169D+02
      3  -0.207391D+01 -0.216401D+01 -0.435388D+01 -0.112737D+01 -0.441937D+02
      4   0.968910D+01  0.595522D+01  0.111844D+02  0.348689D+01  0.132918D+02
      5   0.571407D+01  0.204877D+01  0.288118D+01  0.206483D+01  0.101175D+02
      6   0.875658D+01  0.216295D+01  0.454238D+01  0.311973D+01 -0.184687D+01
               146           147           148           149           150 
      1   0.896478D+01  0.651507D+01  0.714566D+01  0.983953D+01  0.193083D+01
      2  -0.444589D+01 -0.435693D+01 -0.307894D+01 -0.453369D+01 -0.164007D+01
      3  -0.451889D+01 -0.215815D+01 -0.406673D+01 -0.530585D+01 -0.290761D+00
      4   0.934332D+01  0.783835D+00  0.160544D+02  0.423659D+01  0.144348D+01
      5   0.828300D+00  0.965758D+01  0.379226D+01  0.159097D+01  0.130829D+01
      6   0.299614D+00  0.479450D+00  0.902386D+00 -0.960891D-01  0.171567D+01
               151           152           153           154           155 
      1   0.783980D+01  0.211714D+01  0.296244D+01  0.217959D+02 -0.140746D+02
      2  -0.427067D+01 -0.112949D+01 -0.166590D+01 -0.339248D+01 -0.119068D+01
      3  -0.356913D+01 -0.987652D+00 -0.129653D+01 -0.184035D+02  0.152653D+02
      4   0.420494D+01  0.154735D+01  0.720125D+00 -0.339125D+02  0.312511D+02
      5   0.224244D+01  0.432575D+00  0.128189D+01 -0.577592D+01  0.415318D+01
      6   0.141008D+00  0.552805D+00  0.538995D+00  0.218513D+01 -0.186505D+01
               156           157           158           159           160 
      1  -0.246003D+01 -0.890562D+01  0.340348D+01  0.633907D+00 -0.576106D+00
      2   0.714131D+00 -0.704876D+01  0.174353D+02  0.102016D+01 -0.149384D+01
      3   0.174590D+01  0.159544D+02 -0.208387D+02 -0.165406D+01  0.206994D+01
      4   0.403928D+01  0.344526D+02 -0.449388D+02 -0.711440D+01  0.555619D+01
      5   0.578415D+01  0.614469D+01 -0.736117D+01 -0.533798D+01  0.222082D+01
      6  -0.287765D+01 -0.398537D+01  0.552704D+01  0.573277D+01 -0.162230D+01
               161           162           163           164           165 
      1  -0.112330D+00  0.494374D-01 -0.511904D+01 -0.857759D+01 -0.261977D+01
      2   0.300524D+01  0.103875D+01  0.645599D+01  0.103681D+02  0.197584D+01
      3  -0.289291D+01 -0.108819D+01 -0.133695D+01 -0.179048D+01  0.643927D+00
      4  -0.711957D+01 -0.255105D+01  0.387223D+01  0.758053D+01  0.145134D+01
      5  -0.211305D+01 -0.119074D+01  0.103754D+01  0.126701D+01  0.186863D+01
      6   0.224898D+01  0.170003D+01  0.248848D+01  0.376401D+01  0.230657D+01
               166           167           168           169           170 
      1  -0.767428D+01 -0.329809D+02 -0.803130D+01 -0.225360D+01 -0.797011D+01
      2   0.936336D+01  0.432441D+02  0.771069D+01  0.270263D+01  0.976085D+01
      3  -0.168908D+01 -0.102632D+02  0.320619D+00 -0.449026D+00 -0.179075D+01
      4   0.506610D+01 -0.429450D+00 -0.500164D+00  0.153330D+01  0.244827D+00
      5   0.100659D+01 -0.571561D+00  0.130093D+00  0.677958D+00  0.547774D+00
      6   0.301312D+01  0.128370D+02  0.854550D+01  0.959636D+00  0.463480D+01
               171 
      1  -0.294308D+01
      2   0.361848D+01
      3  -0.675398D+00
      4   0.128272D+01
      5   0.591887D+00
      6   0.321415D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:13:40 2021, MaxMem=  5368709120 cpu:           11962.8 elap:            1497.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.15233 -10.24231 -10.19611 -10.19363 -10.19293
 Alpha  occ. eigenvalues --  -10.19241 -10.19191 -10.18957 -10.17669  -1.03177
 Alpha  occ. eigenvalues --   -0.86775  -0.78639  -0.75529  -0.73345  -0.63740
 Alpha  occ. eigenvalues --   -0.61509  -0.58584  -0.53526  -0.51053  -0.47665
 Alpha  occ. eigenvalues --   -0.45134  -0.44112  -0.42683  -0.42289  -0.39063
 Alpha  occ. eigenvalues --   -0.38430  -0.37029  -0.36503  -0.34929  -0.33048
 Alpha  occ. eigenvalues --   -0.28942  -0.26254  -0.25373
 Alpha virt. eigenvalues --   -0.02114  -0.01980  -0.01279   0.00013   0.00467
 Alpha virt. eigenvalues --    0.00964   0.02377   0.02386   0.03419   0.04524
 Alpha virt. eigenvalues --    0.05015   0.05348   0.06086   0.06470   0.08058
 Alpha virt. eigenvalues --    0.08214   0.08691   0.08947   0.09244   0.09799
 Alpha virt. eigenvalues --    0.09906   0.10184   0.10509   0.11190   0.11385
 Alpha virt. eigenvalues --    0.11819   0.12118   0.12681   0.12713   0.13177
 Alpha virt. eigenvalues --    0.13994   0.14391   0.14722   0.15339   0.15742
 Alpha virt. eigenvalues --    0.16594   0.17436   0.18499   0.19257   0.19649
 Alpha virt. eigenvalues --    0.20137   0.20756   0.22095   0.22759   0.23307
 Alpha virt. eigenvalues --    0.23639   0.23936   0.24411   0.24621   0.25216
 Alpha virt. eigenvalues --    0.25441   0.25862   0.26187   0.27017   0.27591
 Alpha virt. eigenvalues --    0.27970   0.29071   0.29866   0.30180   0.30278
 Alpha virt. eigenvalues --    0.30965   0.31844   0.32409   0.32899   0.33069
 Alpha virt. eigenvalues --    0.34047   0.34381   0.35458   0.35715   0.37543
 Alpha virt. eigenvalues --    0.38124   0.38484   0.40227   0.40677   0.41743
 Alpha virt. eigenvalues --    0.42194   0.42711   0.43473   0.43978   0.44202
 Alpha virt. eigenvalues --    0.45096   0.45338   0.46110   0.47766   0.47826
 Alpha virt. eigenvalues --    0.48621   0.49562   0.49779   0.51064   0.52021
 Alpha virt. eigenvalues --    0.52616   0.53519   0.54369   0.55079   0.55496
 Alpha virt. eigenvalues --    0.56049   0.56066   0.57123   0.57430   0.58434
 Alpha virt. eigenvalues --    0.59153   0.59806   0.60339   0.61358   0.61525
 Alpha virt. eigenvalues --    0.62677   0.62917   0.63829   0.64552   0.65275
 Alpha virt. eigenvalues --    0.65793   0.66140   0.66634   0.67773   0.67950
 Alpha virt. eigenvalues --    0.68301   0.69917   0.70967   0.71751   0.73058
 Alpha virt. eigenvalues --    0.74123   0.75979   0.77050   0.77293   0.77647
 Alpha virt. eigenvalues --    0.78084   0.78326   0.79001   0.79924   0.80624
 Alpha virt. eigenvalues --    0.81896   0.82231   0.83666   0.84778   0.85984
 Alpha virt. eigenvalues --    0.87308   0.88792   0.90015   0.91036   0.94502
 Alpha virt. eigenvalues --    0.95587   0.96141   0.97496   0.98385   0.99999
 Alpha virt. eigenvalues --    1.01802   1.04658   1.06076   1.08247   1.09990
 Alpha virt. eigenvalues --    1.10472   1.13407   1.15345   1.16539   1.20125
 Alpha virt. eigenvalues --    1.22605   1.28602   1.29692   1.30499   1.31317
 Alpha virt. eigenvalues --    1.33255   1.33900   1.35509   1.37072   1.37487
 Alpha virt. eigenvalues --    1.38306   1.39453   1.40080   1.41486   1.42672
 Alpha virt. eigenvalues --    1.42820   1.45244   1.46841   1.48478   1.49541
 Alpha virt. eigenvalues --    1.49840   1.51360   1.53421   1.54211   1.55456
 Alpha virt. eigenvalues --    1.56484   1.58713   1.59196   1.62536   1.64160
 Alpha virt. eigenvalues --    1.64868   1.66032   1.67523   1.68539   1.69677
 Alpha virt. eigenvalues --    1.70592   1.72353   1.73013   1.73558   1.75303
 Alpha virt. eigenvalues --    1.76597   1.78088   1.80112   1.82624   1.83279
 Alpha virt. eigenvalues --    1.84791   1.85609   1.86030   1.86729   1.89231
 Alpha virt. eigenvalues --    1.90889   1.93973   1.94922   1.96137   1.98677
 Alpha virt. eigenvalues --    1.99109   1.99621   2.02103   2.03202   2.04324
 Alpha virt. eigenvalues --    2.05785   2.07256   2.09700   2.10249   2.11204
 Alpha virt. eigenvalues --    2.12190   2.15024   2.17273   2.19029   2.19284
 Alpha virt. eigenvalues --    2.22884   2.25910   2.28165   2.29002   2.32096
 Alpha virt. eigenvalues --    2.34484   2.37747   2.42075   2.44201   2.47819
 Alpha virt. eigenvalues --    2.50438   2.51510   2.53657   2.54780   2.56903
 Alpha virt. eigenvalues --    2.60021   2.62984   2.67513   2.68385   2.72936
 Alpha virt. eigenvalues --    2.74918   2.79551   2.83382   2.85511   2.87932
 Alpha virt. eigenvalues --    2.99512   3.01260   3.05325   3.07060   3.16804
 Alpha virt. eigenvalues --    3.36784   3.44690   3.47146   3.47889   3.54600
 Alpha virt. eigenvalues --    3.57272   3.63150   4.05046   4.52658
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.788290  -0.804136   0.157160   0.046527   0.017823   0.341643
     2  C   -0.804136  10.568210   0.204570  -1.492151   0.060355  -1.356949
     3  H    0.157160   0.204570   0.748930  -0.059916  -0.028656  -0.071552
     4  H    0.046527  -1.492151  -0.059916   2.567154   0.195742   0.378813
     5  C    0.017823   0.060355  -0.028656   0.195742   4.659103   0.193403
     6  C    0.341643  -1.356949  -0.071552   0.378813   0.193403  19.346302
     7  H   -0.045386   0.123320   0.002157  -0.042390  -0.065086   0.375019
     8  H   -0.027964  -0.183481   0.003845   0.124560   0.430576  -0.244564
     9  H    0.101505  -0.038083  -0.005526  -0.095738   0.129379  -0.057332
    10  C    0.147949  -0.497094  -0.057496  -0.121213  -0.580639  -9.014952
    11  C   -0.038400  -0.193592   0.000186  -0.046063   0.296258   5.542404
    12  C    0.002469   0.089992  -0.011107   0.030158  -0.169349  -5.766521
    13  C   -0.010872  -0.182530   0.017842   0.013569   0.227062   5.087780
    14  C   -0.074080  -1.680271   0.024198   0.235445  -0.338197 -10.841870
    15  H   -0.071782   0.084755   0.003360   0.016371   0.083516   0.684113
    16  H   -0.002420   0.045928  -0.001769   0.001150  -0.001718  -0.486372
    17  H    0.000726  -0.016367   0.000027   0.000600  -0.000401   0.202655
    18  H   -0.000094   0.030721   0.000530   0.003657  -0.002744  -0.462441
    19  H   -0.003120   0.245412   0.002882  -0.117220   0.063097   1.027873
               7          8          9         10         11         12
     1  O   -0.045386  -0.027964   0.101505   0.147949  -0.038400   0.002469
     2  C    0.123320  -0.183481  -0.038083  -0.497094  -0.193592   0.089992
     3  H    0.002157   0.003845  -0.005526  -0.057496   0.000186  -0.011107
     4  H   -0.042390   0.124560  -0.095738  -0.121213  -0.046063   0.030158
     5  C   -0.065086   0.430576   0.129379  -0.580639   0.296258  -0.169349
     6  C    0.375019  -0.244564  -0.057332  -9.014952   5.542404  -5.766521
     7  H    1.798277  -0.403559  -0.298883  -0.029558   0.029891  -0.011907
     8  H   -0.403559   1.819861  -0.322988  -0.017451  -0.015274   0.007714
     9  H   -0.298883  -0.322988   1.791588   0.041313  -0.016546   0.005082
    10  C   -0.029558  -0.017451   0.041313  21.425960  -8.250561   5.447307
    11  C    0.029891  -0.015274  -0.016546  -8.250561  16.193389  -6.649201
    12  C   -0.011907   0.007714   0.005082   5.447307  -6.649201  13.835961
    13  C    0.015289  -0.001949  -0.017622  -6.102101   6.127782  -6.667506
    14  C   -0.148118   0.136755   0.054739   4.012359  -6.789269   5.949516
    15  H    0.005233  -0.048568   0.013117  -2.516869   0.964721  -0.237447
    16  H    0.000784   0.001683  -0.002271   1.436472  -2.221001   0.788037
    17  H   -0.000135   0.000494   0.000197  -0.275688   0.888632  -1.936836
    18  H    0.001303  -0.001419  -0.002027   0.272211  -0.432550   0.854743
    19  H   -0.005591   0.017620  -0.017523  -0.213144   0.195437  -0.314197
              13         14         15         16         17         18
     1  O   -0.010872  -0.074080  -0.071782  -0.002420   0.000726  -0.000094
     2  C   -0.182530  -1.680271   0.084755   0.045928  -0.016367   0.030721
     3  H    0.017842   0.024198   0.003360  -0.001769   0.000027   0.000530
     4  H    0.013569   0.235445   0.016371   0.001150   0.000600   0.003657
     5  C    0.227062  -0.338197   0.083516  -0.001718  -0.000401  -0.002744
     6  C    5.087780 -10.841870   0.684113  -0.486372   0.202655  -0.462441
     7  H    0.015289  -0.148118   0.005233   0.000784  -0.000135   0.001303
     8  H   -0.001949   0.136755  -0.048568   0.001683   0.000494  -0.001419
     9  H   -0.017622   0.054739   0.013117  -0.002271   0.000197  -0.002027
    10  C   -6.102101   4.012359  -2.516869   1.436472  -0.275688   0.272211
    11  C    6.127782  -6.789269   0.964721  -2.221001   0.888632  -0.432550
    12  C   -6.667506   5.949516  -0.237447   0.788037  -1.936836   0.854743
    13  C   15.739948  -7.930991   0.175918  -0.488461   0.859192  -2.087997
    14  C   -7.930991  24.426998  -0.340232   0.304274  -0.302530   1.209292
    15  H    0.175918  -0.340232   3.501786  -0.225281  -0.028279   0.020212
    16  H   -0.488461   0.304274  -0.225281   2.819412  -0.159009  -0.037002
    17  H    0.859192  -0.302530  -0.028279  -0.159009   2.721074  -0.150575
    18  H   -2.087997   1.209292   0.020212  -0.037002  -0.150575   2.776265
    19  H    0.802989  -2.791752  -0.062633   0.021906  -0.030835  -0.211543
              19
     1  O   -0.003120
     2  C    0.245412
     3  H    0.002882
     4  H   -0.117220
     5  C    0.063097
     6  C    1.027873
     7  H   -0.005591
     8  H    0.017620
     9  H   -0.017523
    10  C   -0.213144
    11  C    0.195437
    12  C   -0.314197
    13  C    0.802989
    14  C   -2.791752
    15  H   -0.062633
    16  H    0.021906
    17  H   -0.030835
    18  H   -0.211543
    19  H    3.397862
 Mulliken charges:
               1
     1  O   -0.525838
     2  C    0.991391
     3  H    0.070336
     4  H   -0.639057
     5  C    0.830477
     6  C    1.122548
     7  H   -0.300660
     8  H   -0.275889
     9  H   -0.262384
    10  C    0.893195
    11  C    0.413757
    12  C    0.753091
    13  C    0.422657
    14  C    0.883735
    15  H   -1.022009
    16  H   -0.794341
    17  H   -0.772944
    18  H   -0.780541
    19  H   -1.007522
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.455502
     2  C    0.352334
     5  C   -0.008457
     6  C    1.122548
    10  C   -0.128815
    11  C   -0.380584
    12  C   -0.019853
    13  C   -0.357884
    14  C   -0.123787
 Electronic spatial extent (au):  <R**2>=           1268.4779
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.0962    Y=             -0.7530    Z=             -0.3549  Tot=              1.3765
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -56.6225   YY=            -51.8273   ZZ=            -54.7817
   XY=              2.5777   XZ=             -0.0680   YZ=              0.7589
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -2.2120   YY=              2.5832   ZZ=             -0.3712
   XY=              2.5777   XZ=             -0.0680   YZ=              0.7589
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             17.6529  YYY=              2.5046  ZZZ=            -11.3398  XYY=              1.5860
  XXY=             -7.1053  XXZ=              4.3604  XZZ=            -12.8388  YZZ=              4.0780
  YYZ=             -1.8859  XYZ=              2.0154
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1182.3232 YYYY=           -341.9768 ZZZZ=           -181.9889 XXXY=             16.1030
 XXXZ=             -4.3746 YYYX=             -4.6768 YYYZ=              4.7411 ZZZX=             21.5217
 ZZZY=            -12.3238 XXYY=           -252.6464 XXZZ=           -239.1613 YYZZ=            -90.9642
 XXYZ=              7.0312 YYXZ=              5.0766 ZZXY=             -7.0205
 N-N= 4.256175507275D+02 E-N=-1.749010874178D+03  KE= 3.838813780811D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:13:41 2021, MaxMem=  5368709120 cpu:               2.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.30597404D-01-2.82856063D-01-1.67595774D-01
 Polarizability= 1.19740572D+02 9.78013254D-01 9.74025097D+01
                 3.90203320D-01 5.10432669D+00 6.74324891D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.3014   -0.3018        0.4233    0.4250
 2      0.3014    0.3018       -2.5652   -2.5647      -12.8727  -12.8701
 3     -0.4233   -0.4250       28.1939   28.1929        2.5695    2.5647
 4      2.5652    2.5647       -0.0000    0.0000       -0.4285   -0.4250
 5    -15.3211  -15.3228        0.4285    0.4250       -0.3029   -0.3018
 6     -2.5695   -2.5647        0.3029    0.3018        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.9053    0.9053        1.2750    1.2750
 2      7.6941    7.6941       -0.0000    0.0000        1.2750    1.2750
 3      7.6941    7.6941        0.9053    0.9053        0.0000    0.0000
 4      0.9053    0.9053       -7.6941   -7.6941      -38.6103  -38.6103
 5     -1.2750   -1.2750       84.5788   84.5788        7.6941    7.6941
 6    -45.9685  -45.9685        1.2750    1.2750       -0.9053   -0.9053
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0043    0.0000        1.1589    1.2070       -1.6626   -1.7000
 2     -1.1582   -1.2070       10.2313   10.2588       51.6171   51.4804
 3      1.5936    1.7000     -112.7497 -112.7717      -10.2242  -10.2588
 4    -10.2326  -10.2588       -0.1169    0.0000        1.6764    1.7000
 5     61.1697   61.2913       -1.6342   -1.7000        1.1811    1.2070
 6     10.3519   10.2588       -1.6773   -1.2070       -0.0266    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0343    0.0000       -4.1170   -4.0445       -8.6375   -8.7490
 2      3.8808    4.0445      -49.3291  -49.1747      -29.6976  -29.5992
 3      8.8057    8.7490      -24.1190  -23.7929       49.7791   49.1747
 4     49.1415   49.1747        0.1023    0.0000        8.5031    8.7490
 5     53.4331   53.3921       -9.0768   -8.7490       -3.9559   -4.0445
 6    -49.1103  -49.1747        3.9826    4.0445        0.2625    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     31.2533   31.2503        7.9188    7.9243       23.8484   23.8304
 2    104.5560  104.7354        4.2279    4.0587       23.5129   23.8304
 3    104.5327  104.7354        8.0188    7.9243       22.3626   22.5042
 4      3.7694    3.8656      -73.4320  -73.4851      -34.2502  -34.5165
 5     -1.3165   -1.3263      -41.2692  -41.2111       73.5824   73.4851
 6     75.9893   75.7275        0.3798    1.3263       -3.9767   -3.8656
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.8089   -0.4215   -0.0005   -0.0002    0.0002    1.4241
 Low frequencies ---   43.0112  128.5765  208.3018
 Diagonal vibrational polarizability:
       26.4278951       9.1330609      23.0022617
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     43.0060               128.5765               208.3017
 Red. masses --      3.4412                 3.4053                 2.2256
 Frc consts  --      0.0037                 0.0332                 0.0569
 IR Inten    --      0.8160                 0.1614                 0.2897
 RamAct Fr= 1--      4.2096                 4.7522                 0.2531
  Dep-P Fr= 1--      0.7484                 0.7458                 0.3062
  Dep-U Fr= 1--      0.8561                 0.8544                 0.4688
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0025
 Beta2  Fr= 1--      0.6006                 0.6767                 0.0198
 AlphaG Fr= 1--      0.0008                 0.0009                -0.0015
 Gamma2 Fr= 1--     -0.2336                -0.4857                -0.1337
 Delta2 Fr= 1--     -0.5244                -0.1638                -0.0633
 Raman1 Fr= 1--      16.839                 19.009                  1.012
 ROA1   Fr= 1--     -39.203                -51.868                -14.857
 CID1   Fr= 1--      -2.328                 -2.729                -14.678
 Raman2 Fr= 1--       7.208                  8.120                  0.237
 ROA2   Fr= 1--      -1.410                -10.347                 -2.702
 CID2   Fr= 1--      -0.196                 -1.274                -11.388
 Raman3 Fr= 1--      14.415                 16.241                  0.475
 ROA3   Fr= 1--     -39.203                -51.868                -14.857
 CID3   Fr= 1--      -2.720                 -3.194                -31.307
 RC180  Fr= 1--       0.712                  0.709                 -0.062
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.14  -0.15    -0.14  -0.05   0.01     0.11   0.09   0.04
     2   6    -0.00  -0.04   0.07    -0.00   0.01  -0.04    -0.01  -0.03  -0.01
     3   1     0.10  -0.27  -0.14    -0.31  -0.10  -0.09     0.17   0.12   0.08
     4   1    -0.00  -0.13   0.23    -0.05  -0.03   0.04    -0.16   0.01  -0.02
     5   6    -0.04   0.23   0.07     0.23   0.07   0.08     0.05   0.07   0.03
     6   6    -0.00  -0.03   0.05    -0.00   0.04  -0.18    -0.01  -0.12  -0.05
     7   1    -0.04   0.23   0.07     0.22  -0.01   0.29    -0.02   0.54   0.10
     8   1    -0.04   0.33  -0.09     0.28   0.12  -0.02     0.48  -0.08   0.13
     9   1    -0.07   0.32   0.23     0.38   0.13   0.07    -0.26  -0.17  -0.11
    10   6    -0.02  -0.05   0.17    -0.00   0.02  -0.11    -0.09  -0.09  -0.05
    11   6    -0.02  -0.03   0.13    -0.01  -0.03   0.08    -0.12   0.01  -0.01
    12   6     0.00   0.01  -0.03    -0.03  -0.05   0.20    -0.05   0.06   0.02
    13   6     0.02   0.04  -0.16    -0.02  -0.02   0.05     0.04   0.03   0.01
    14   6     0.02   0.01  -0.12    -0.01   0.03  -0.14     0.05  -0.08  -0.03
    15   1    -0.04  -0.08   0.29     0.00   0.03  -0.15    -0.16  -0.14  -0.07
    16   1    -0.04  -0.04   0.23    -0.01  -0.05   0.18    -0.19   0.04  -0.00
    17   1     0.00   0.03  -0.07    -0.04  -0.10   0.39    -0.06   0.13   0.06
    18   1     0.04   0.07  -0.29    -0.03  -0.04   0.11     0.10   0.07   0.04
    19   1     0.03   0.03  -0.21    -0.01   0.04  -0.21     0.12  -0.11  -0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --    252.9601               306.7412               330.7528
 Red. masses --      1.3608                 3.1480                 1.2919
 Frc consts  --      0.0513                 0.1745                 0.0833
 IR Inten    --      4.6172                 2.1068                95.9145
 RamAct Fr= 1--      0.1381                 1.9510                 0.8558
  Dep-P Fr= 1--      0.3451                 0.2248                 0.5128
  Dep-U Fr= 1--      0.5131                 0.3671                 0.6779
 Alpha2 Fr= 1--      0.0012                 0.0248                 0.0040
 Beta2  Fr= 1--      0.0118                 0.1194                 0.0967
 AlphaG Fr= 1--      0.0029                -0.0123                -0.0000
 Gamma2 Fr= 1--     -0.0080                -1.0492                -0.7023
 Delta2 Fr= 1--      0.0256                -0.2846                -0.6431
 Raman1 Fr= 1--       0.552                  7.804                  3.423
 ROA1   Fr= 1--       0.057               -109.834                -87.998
 CID1   Fr= 1--       0.103                -14.074                -25.706
 Raman2 Fr= 1--       0.142                  1.432                  1.160
 ROA2   Fr= 1--      -0.396                -22.905                -11.710
 CID2   Fr= 1--      -2.796                -15.990                -10.092
 Raman3 Fr= 1--       0.283                  2.865                  2.321
 ROA3   Fr= 1--       0.057               -109.834                -87.998
 CID3   Fr= 1--       0.200                -38.337                -37.919
 RC180  Fr= 1--       0.026                 -0.266                  0.356
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.07  -0.08  -0.04     0.04   0.01  -0.13     0.04  -0.05  -0.03
     2   6     0.00   0.00   0.01     0.02   0.03  -0.09     0.01  -0.02   0.04
     3   1     0.03   0.02   0.03     0.22   0.12  -0.02     0.69   0.51   0.41
     4   1     0.06  -0.03   0.04     0.04   0.03  -0.09     0.04  -0.04   0.06
     5   6    -0.01  -0.02   0.00     0.25  -0.05  -0.00    -0.01  -0.02   0.04
     6   6     0.00   0.06   0.01    -0.03   0.04   0.03    -0.01   0.02   0.00
     7   1    -0.07   0.51  -0.02     0.23  -0.13   0.26     0.01  -0.11   0.02
     8   1     0.43  -0.27   0.25     0.34  -0.07   0.01    -0.09   0.01   0.02
     9   1    -0.40  -0.37  -0.23     0.45  -0.04  -0.15     0.05   0.03   0.07
    10   6     0.04   0.05   0.02    -0.06   0.01   0.15    -0.01   0.03  -0.05
    11   6     0.05   0.00   0.00    -0.05   0.00   0.04    -0.00   0.01  -0.03
    12   6     0.02  -0.02  -0.00    -0.08   0.01  -0.14    -0.03  -0.02   0.05
    13   6    -0.02  -0.00   0.00    -0.10  -0.03   0.03    -0.04  -0.00  -0.01
    14   6    -0.02   0.04   0.01    -0.09  -0.02   0.14    -0.03   0.02  -0.06
    15   1     0.07   0.07   0.03    -0.06  -0.00   0.23     0.01   0.04  -0.04
    16   1     0.08  -0.01  -0.00    -0.01  -0.02   0.04     0.01   0.01  -0.04
    17   1     0.03  -0.05  -0.00    -0.06   0.02  -0.33    -0.03  -0.05   0.12
    18   1    -0.05  -0.03  -0.00    -0.10  -0.03   0.04    -0.04  -0.01  -0.01
    19   1    -0.05   0.06   0.00    -0.15  -0.01   0.21    -0.05   0.04  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    365.9565               415.0659               486.0605
 Red. masses --      2.5350                 2.9362                 3.5055
 Frc consts  --      0.2000                 0.2980                 0.4879
 IR Inten    --     38.2350                 0.5618                 5.9583
 RamAct Fr= 1--      2.1133                 0.0331                 2.7251
  Dep-P Fr= 1--      0.3958                 0.6569                 0.1095
  Dep-U Fr= 1--      0.5672                 0.7929                 0.1974
 Alpha2 Fr= 1--      0.0159                 0.0001                 0.0466
 Beta2  Fr= 1--      0.1998                 0.0044                 0.0897
 AlphaG Fr= 1--     -0.0029                -0.0019                 0.0025
 Gamma2 Fr= 1--      0.4660                -0.2241                 0.1226
 Delta2 Fr= 1--      0.0282                -0.0236                -0.0093
 Raman1 Fr= 1--       8.453                  0.132                 10.901
 ROA1   Fr= 1--      45.637                -22.263                 11.467
 CID1   Fr= 1--       5.399               -168.353                  1.052
 Raman2 Fr= 1--       2.397                  0.052                  1.076
 ROA2   Fr= 1--      10.958                 -5.189                  3.016
 CID2   Fr= 1--       4.571                -98.973                  2.803
 Raman3 Fr= 1--       4.794                  0.105                  2.152
 ROA3   Fr= 1--      45.637                -22.263                 11.467
 CID3   Fr= 1--       9.519               -212.329                  5.328
 RC180  Fr= 1--       0.134                  0.586                 -0.605
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.22   0.01  -0.03    -0.01  -0.01  -0.01     0.06  -0.11   0.21
     2   6     0.04   0.00   0.08    -0.01   0.00  -0.00     0.19  -0.12  -0.05
     3   1    -0.20  -0.66  -0.37     0.09   0.09   0.06    -0.17   0.05   0.12
     4   1     0.05  -0.01   0.10    -0.01   0.00   0.00     0.26  -0.11  -0.10
     5   6     0.00  -0.09   0.07    -0.00  -0.00   0.00     0.04   0.09  -0.16
     6   6    -0.01   0.05   0.06    -0.00   0.00  -0.01     0.07   0.07  -0.03
     7   1     0.00  -0.10   0.04    -0.00  -0.00   0.01     0.04   0.30  -0.40
     8   1    -0.01  -0.18   0.20     0.01  -0.00   0.00     0.06   0.23  -0.39
     9   1     0.01  -0.16  -0.04    -0.00  -0.00  -0.00    -0.25   0.16   0.16
    10   6    -0.02   0.08  -0.06     0.02   0.04  -0.21    -0.04   0.10   0.02
    11   6    -0.03   0.03  -0.02    -0.01  -0.05   0.20    -0.04   0.03   0.03
    12   6    -0.08  -0.04   0.07     0.01   0.00  -0.00    -0.12  -0.03  -0.05
    13   6    -0.08  -0.00  -0.06     0.02   0.04  -0.20    -0.08  -0.06   0.00
    14   6    -0.07   0.04  -0.05    -0.01  -0.04   0.21    -0.06   0.00   0.01
    15   1    -0.02   0.10  -0.17     0.03   0.09  -0.42    -0.07   0.07   0.04
    16   1     0.03   0.01  -0.05    -0.03  -0.10   0.45     0.05  -0.02   0.07
    17   1    -0.08  -0.09   0.16     0.01   0.00  -0.01    -0.12  -0.04  -0.09
    18   1    -0.09   0.00  -0.11     0.03   0.09  -0.43    -0.07  -0.05   0.03
    19   1    -0.13   0.08  -0.11    -0.02  -0.10   0.45    -0.18   0.04   0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    551.7200               620.3149               637.8217
 Red. masses --      2.9885                 3.9987                 6.3591
 Frc consts  --      0.5360                 0.9066                 1.5242
 IR Inten    --     17.7591                 8.2829                 0.3923
 RamAct Fr= 1--      0.4627                 1.1007                 4.5492
  Dep-P Fr= 1--      0.3262                 0.6780                 0.7365
  Dep-U Fr= 1--      0.4919                 0.8081                 0.8482
 Alpha2 Fr= 1--      0.0044                 0.0014                 0.0011
 Beta2  Fr= 1--      0.0379                 0.1482                 0.6431
 AlphaG Fr= 1--      0.0031                -0.0021                -0.0043
 Gamma2 Fr= 1--      0.0712                 0.2628                 0.0272
 Delta2 Fr= 1--     -0.0126                -0.0231                -0.0094
 Raman1 Fr= 1--       1.851                  4.403                 18.197
 ROA1   Fr= 1--       6.427                 24.491                  2.314
 CID1   Fr= 1--       3.473                  5.563                  0.127
 Raman2 Fr= 1--       0.455                  1.779                  7.718
 ROA2   Fr= 1--       1.809                  6.493                  0.728
 CID2   Fr= 1--       3.974                  3.650                  0.094
 Raman3 Fr= 1--       0.910                  3.558                 15.435
 ROA3   Fr= 1--       6.427                 24.491                  2.314
 CID3   Fr= 1--       7.060                  6.884                  0.150
 RC180  Fr= 1--      -0.016                  0.616                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.07   0.01   0.00    -0.12   0.01  -0.08    -0.02   0.03  -0.03
     2   6     0.01  -0.00  -0.07     0.18   0.22   0.11     0.02   0.04   0.02
     3   1    -0.11   0.13   0.00    -0.06   0.10  -0.02     0.01   0.04  -0.01
     4   1     0.09   0.04  -0.15     0.19   0.17   0.20     0.04   0.03   0.03
     5   6     0.08   0.03  -0.09     0.00   0.01   0.02    -0.01   0.00   0.03
     6   6    -0.01  -0.06   0.27     0.19  -0.04   0.01     0.01   0.13   0.03
     7   1     0.06   0.07   0.05     0.05  -0.14  -0.33    -0.00  -0.03  -0.01
     8   1     0.20   0.07  -0.19    -0.31  -0.16   0.38    -0.05  -0.03   0.09
     9   1     0.13   0.07  -0.07    -0.06  -0.13  -0.15    -0.00  -0.02  -0.02
    10   6    -0.01  -0.01   0.05     0.01   0.01   0.00    -0.26   0.18   0.01
    11   6    -0.00   0.02  -0.13    -0.05   0.11   0.02    -0.23  -0.25  -0.06
    12   6    -0.02  -0.04   0.18    -0.19   0.01  -0.01    -0.00  -0.14  -0.04
    13   6     0.02   0.02  -0.14     0.02  -0.10  -0.03     0.29  -0.22  -0.02
    14   6     0.00  -0.02   0.06     0.04  -0.21  -0.04     0.22   0.20   0.05
    15   1    -0.00   0.04  -0.24    -0.19  -0.13  -0.02    -0.16   0.25   0.05
    16   1     0.02   0.09  -0.48     0.03   0.07   0.03    -0.06  -0.33  -0.04
    17   1    -0.03  -0.03   0.21    -0.19   0.02   0.00    -0.06   0.28   0.06
    18   1     0.04   0.10  -0.48     0.21   0.04   0.01     0.18  -0.31  -0.02
    19   1     0.02   0.05  -0.23    -0.05  -0.17  -0.03     0.05   0.27   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    715.5722               778.1706               781.6813
 Red. masses --      1.7378                 2.0553                 3.0939
 Frc consts  --      0.5243                 0.7333                 1.1138
 IR Inten    --     43.1149                22.6151                 5.7145
 RamAct Fr= 1--      0.0545                 3.3772                12.4857
  Dep-P Fr= 1--      0.1552                 0.1888                 0.0171
  Dep-U Fr= 1--      0.2687                 0.3176                 0.0335
 Alpha2 Fr= 1--      0.0008                 0.0472                 0.2666
 Beta2  Fr= 1--      0.0024                 0.1788                 0.0698
 AlphaG Fr= 1--     -0.0010                 0.0083                -0.0412
 Gamma2 Fr= 1--     -0.0444                 0.4891                 0.2427
 Delta2 Fr= 1--     -0.0087                -0.0806                 0.2780
 Raman1 Fr= 1--       0.218                 13.509                 49.943
 ROA1   Fr= 1--      -4.536                 44.377                 32.198
 CID1   Fr= 1--     -20.826                  3.285                  0.645
 Raman2 Fr= 1--       0.029                  2.145                  0.838
 ROA2   Fr= 1--      -0.995                 12.384                  3.601
 CID2   Fr= 1--     -33.998                  5.772                  4.299
 Raman3 Fr= 1--       0.059                  4.291                  1.675
 ROA3   Fr= 1--      -4.536                 44.377                 32.198
 CID3   Fr= 1--     -77.510                 10.342                 19.218
 RC180  Fr= 1--      -0.463                 -0.365                 -0.933
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01  -0.00   0.00    -0.02   0.03  -0.01     0.01   0.04  -0.02
     2   6     0.00  -0.00   0.00    -0.07  -0.06  -0.04    -0.12  -0.13  -0.08
     3   1    -0.00  -0.02  -0.01    -0.02   0.01  -0.02     0.04  -0.02  -0.01
     4   1    -0.02  -0.00   0.02    -0.01   0.00  -0.14    -0.17  -0.06  -0.16
     5   6    -0.00   0.00  -0.00    -0.02  -0.02  -0.01    -0.08  -0.04   0.09
     6   6     0.00   0.02  -0.10     0.02  -0.03   0.18     0.07   0.04  -0.14
     7   1     0.00  -0.01  -0.03    -0.06   0.04   0.28    -0.13   0.06   0.37
     8   1    -0.03  -0.01   0.02     0.18   0.05  -0.17     0.13   0.06  -0.14
     9   1    -0.02  -0.01   0.00     0.08   0.06   0.04    -0.03   0.06   0.22
    10   6    -0.01  -0.02   0.07     0.02   0.08  -0.06     0.03   0.13   0.09
    11   6     0.01   0.03  -0.14     0.03   0.07   0.03     0.07   0.15   0.02
    12   6    -0.00  -0.01   0.07    -0.05   0.02  -0.12    -0.12  -0.04   0.08
    13   6     0.01   0.03  -0.14     0.03  -0.06  -0.01     0.07  -0.11  -0.03
    14   6    -0.01  -0.01   0.07     0.03  -0.03  -0.09     0.05  -0.09   0.04
    15   1    -0.03  -0.09   0.47    -0.01   0.04   0.01    -0.02   0.11   0.01
    16   1    -0.02  -0.05   0.20     0.09  -0.06   0.46     0.29   0.14  -0.31
    17   1    -0.03  -0.12   0.56    -0.09  -0.12   0.47    -0.08   0.02  -0.36
    18   1    -0.02  -0.05   0.22     0.07  -0.11   0.49     0.22   0.05  -0.32
    19   1    -0.04  -0.11   0.51    -0.02  -0.04   0.04    -0.03  -0.04  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    862.7160               917.7069               931.9910
 Red. masses --      1.2479                 2.1663                 1.4618
 Frc consts  --      0.5472                 1.0749                 0.7481
 IR Inten    --      0.1457                 9.8239                 6.9443
 RamAct Fr= 1--      1.8760                 3.8117                 1.6668
  Dep-P Fr= 1--      0.7121                 0.6818                 0.5904
  Dep-U Fr= 1--      0.8318                 0.8108                 0.7424
 Alpha2 Fr= 1--      0.0012                 0.0046                 0.0050
 Beta2  Fr= 1--      0.2601                 0.5151                 0.2062
 AlphaG Fr= 1--     -0.0001                -0.0111                -0.0009
 Gamma2 Fr= 1--     -0.1794                 0.2328                -1.6481
 Delta2 Fr= 1--     -0.0499                -0.3574                 0.0906
 Raman1 Fr= 1--       7.504                 15.247                  6.667
 ROA1   Fr= 1--     -18.820                 10.908               -155.320
 CID1   Fr= 1--      -2.508                  0.715                -23.296
 Raman2 Fr= 1--       3.121                  6.181                  2.475
 ROA2   Fr= 1--      -3.907                  8.445                -40.280
 CID2   Fr= 1--      -1.252                  1.366                -16.275
 Raman3 Fr= 1--       6.242                 12.362                  4.950
 ROA3   Fr= 1--     -18.820                 10.908               -155.320
 CID3   Fr= 1--      -3.015                  0.882                -31.378
 RC180  Fr= 1--       0.664                  0.622                  0.485
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00    -0.06   0.11  -0.09     0.02  -0.04   0.03
     2   6    -0.01   0.00  -0.01     0.15  -0.08  -0.03    -0.03   0.02  -0.01
     3   1    -0.01  -0.01  -0.01    -0.06   0.11  -0.09     0.02  -0.00   0.03
     4   1    -0.01  -0.01   0.01     0.22   0.04  -0.22    -0.10  -0.03   0.08
     5   6    -0.00   0.00   0.00     0.00  -0.10   0.15    -0.00   0.03  -0.01
     6   6    -0.00   0.00  -0.00     0.04   0.01  -0.01    -0.01   0.01  -0.07
     7   1    -0.00  -0.00   0.01    -0.02   0.19  -0.09     0.01  -0.06  -0.03
     8   1    -0.00  -0.00   0.01    -0.02   0.13  -0.19    -0.06  -0.04   0.11
     9   1     0.01   0.00  -0.01    -0.35   0.05   0.64     0.05  -0.03  -0.14
    10   6     0.00   0.01  -0.06    -0.01  -0.04   0.02    -0.00  -0.00   0.08
    11   6     0.01   0.02  -0.08    -0.02  -0.05  -0.01     0.01   0.01   0.03
    12   6    -0.00   0.00  -0.01     0.02   0.01  -0.04     0.00   0.02  -0.09
    13   6    -0.00  -0.02   0.07    -0.05   0.05  -0.00     0.01  -0.01  -0.03
    14   6    -0.00  -0.02   0.08    -0.01   0.01   0.04    -0.00  -0.03   0.11
    15   1    -0.02  -0.08   0.44    -0.01  -0.01  -0.18     0.03   0.10  -0.42
    16   1    -0.03  -0.11   0.51    -0.08  -0.03   0.00     0.04   0.05  -0.17
    17   1    -0.01  -0.01   0.05     0.00  -0.06   0.22    -0.04  -0.12   0.56
    18   1     0.04   0.10  -0.47    -0.10   0.01   0.02     0.01  -0.03   0.12
    19   1     0.03   0.11  -0.50     0.00   0.07  -0.20     0.04   0.12  -0.56
                     19                     20                     21
                      A                      A                      A
 Frequencies --    969.0848               983.7900              1009.1588
 Red. masses --      1.3337                 1.2602                 2.2581
 Frc consts  --      0.7379                 0.7186                 1.3549
 IR Inten    --      0.0091                 1.1016                43.2370
 RamAct Fr= 1--      0.0447                 0.1063                15.8620
  Dep-P Fr= 1--      0.5891                 0.5974                 0.2707
  Dep-U Fr= 1--      0.7414                 0.7480                 0.4260
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.1773
 Beta2  Fr= 1--      0.0055                 0.0133                 1.1263
 AlphaG Fr= 1--      0.0040                -0.0012                -0.1112
 Gamma2 Fr= 1--      0.2702                 0.1958                 2.1935
 Delta2 Fr= 1--     -0.0921                -0.1101                 1.1616
 Raman1 Fr= 1--       0.179                  0.425                 63.448
 ROA1   Fr= 1--      22.996                 15.270                247.749
 CID1   Fr= 1--     128.735                 35.910                  3.905
 Raman2 Fr= 1--       0.066                  0.159                 13.515
 ROA2   Fr= 1--       7.223                  5.579                 43.352
 CID2   Fr= 1--     109.065                 35.085                  3.208
 Raman3 Fr= 1--       0.132                  0.318                 27.030
 ROA3   Fr= 1--      22.996                 15.270                247.749
 CID3   Fr= 1--     173.628                 48.010                  9.166
 RC180  Fr= 1--       0.483                  0.496                 -0.148
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.01   0.01     0.05  -0.10   0.04
     2   6     0.00   0.00  -0.00    -0.00   0.01  -0.01     0.06   0.11  -0.15
     3   1    -0.02   0.00  -0.01     0.00   0.02   0.01    -0.25   0.28  -0.05
     4   1     0.02   0.00  -0.01    -0.01  -0.00   0.00     0.33   0.11  -0.25
     5   6    -0.00  -0.00   0.00    -0.00   0.01   0.01    -0.15   0.01   0.08
     6   6     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.06   0.03   0.00
     7   1    -0.01   0.01   0.02    -0.00  -0.01   0.00    -0.19  -0.05   0.63
     8   1     0.01   0.00  -0.01    -0.01  -0.01   0.03     0.15  -0.05   0.11
     9   1     0.00   0.01   0.01     0.00  -0.01  -0.02     0.20   0.06  -0.09
    10   6     0.01   0.01  -0.08    -0.00  -0.02   0.08     0.05  -0.08  -0.01
    11   6    -0.00  -0.01   0.04     0.01   0.02  -0.10    -0.03  -0.06  -0.01
    12   6    -0.00  -0.01   0.05    -0.00  -0.01   0.06    -0.06   0.01  -0.01
    13   6     0.01   0.03  -0.11     0.00   0.00  -0.03    -0.02   0.03   0.01
    14   6    -0.01  -0.02   0.08    -0.00   0.00   0.01     0.02   0.05   0.00
    15   1    -0.02  -0.08   0.40     0.02   0.10  -0.54     0.03  -0.10  -0.00
    16   1     0.01   0.04  -0.18    -0.04  -0.13   0.62    -0.09  -0.03  -0.05
    17   1     0.02   0.07  -0.33     0.03   0.08  -0.41    -0.07   0.05   0.04
    18   1    -0.04  -0.14   0.63    -0.02  -0.06   0.26    -0.02   0.04  -0.03
    19   1     0.03   0.10  -0.47     0.00   0.03  -0.11    -0.03   0.06   0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.1786              1053.5020              1070.5286
 Red. masses --      5.7173                 2.1794                 1.6888
 Frc consts  --      3.5472                 1.4252                 1.1403
 IR Inten    --      3.4614                 7.0778                17.2363
 RamAct Fr= 1--     47.5402                22.1018                 9.0205
  Dep-P Fr= 1--      0.0385                 0.0328                 0.1075
  Dep-U Fr= 1--      0.0741                 0.0636                 0.1941
 Alpha2 Fr= 1--      0.9651                 0.4547                 0.1551
 Beta2  Fr= 1--      0.5873                 0.2341                 0.2918
 AlphaG Fr= 1--      0.0732                 0.0177                -0.0034
 Gamma2 Fr= 1--     -0.8908                -0.3231                 0.7195
 Delta2 Fr= 1--     -0.3013                -0.1622                -0.7998
 Raman1 Fr= 1--     190.161                 88.407                 36.082
 ROA1   Fr= 1--     -95.161                -36.207                 43.476
 CID1   Fr= 1--      -0.500                 -0.410                  1.205
 Raman2 Fr= 1--       7.047                  2.809                  3.502
 ROA2   Fr= 1--     -18.970                 -6.456                 23.666
 CID2   Fr= 1--      -2.692                 -2.298                  6.759
 Raman3 Fr= 1--      14.095                  5.619                  7.003
 ROA3   Fr= 1--     -95.161                -36.207                 43.476
 CID3   Fr= 1--      -6.752                 -6.444                  6.208
 RC180  Fr= 1--      -0.852                 -0.873                 -0.612
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.05   0.02     0.01  -0.01   0.00     0.02   0.01  -0.00
     2   6     0.05   0.05  -0.08     0.02   0.02  -0.02     0.03  -0.09  -0.14
     3   1    -0.13   0.14  -0.03    -0.04   0.05  -0.01    -0.28   0.35  -0.10
     4   1     0.10   0.06  -0.11     0.06   0.03  -0.04    -0.21  -0.19   0.11
     5   6    -0.06   0.01   0.05    -0.00  -0.01   0.02     0.02   0.08   0.09
     6   6     0.04   0.01   0.01    -0.02   0.00   0.00    -0.01  -0.06   0.04
     7   1    -0.07  -0.02   0.24    -0.00   0.02   0.00     0.09  -0.17  -0.25
     8   1     0.04  -0.03   0.08    -0.01   0.01   0.01    -0.32  -0.10   0.47
     9   1     0.07   0.02  -0.02    -0.03   0.00   0.05    -0.09  -0.13  -0.14
    10   6    -0.22   0.28   0.05    -0.03  -0.08  -0.02    -0.04   0.04  -0.01
    11   6    -0.03  -0.06  -0.02    -0.00   0.18   0.04     0.03   0.04   0.01
    12   6     0.36   0.05   0.03     0.13   0.02   0.01    -0.01  -0.05  -0.01
    13   6    -0.03   0.05   0.01     0.05  -0.18  -0.03    -0.03   0.02   0.00
    14   6    -0.14  -0.34  -0.09    -0.06   0.06   0.01     0.04   0.05  -0.00
    15   1    -0.20   0.30   0.06    -0.32  -0.30  -0.05    -0.13  -0.04   0.05
    16   1    -0.04  -0.04  -0.01    -0.36   0.34   0.03     0.15  -0.01   0.01
    17   1     0.37   0.06   0.04     0.15   0.02   0.02     0.02  -0.24  -0.07
    18   1    -0.02   0.05  -0.00    -0.24  -0.41  -0.11    -0.12  -0.04  -0.01
    19   1    -0.12  -0.36  -0.05    -0.39   0.19   0.03     0.17  -0.02   0.08
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1102.2961              1129.1320              1184.7885
 Red. masses --      1.7699                 1.9636                 1.1186
 Frc consts  --      1.2670                 1.4750                 0.9251
 IR Inten    --     31.8382                14.1938                 0.1026
 RamAct Fr= 1--      6.7324                 2.1042                 3.9693
  Dep-P Fr= 1--      0.1266                 0.7500                 0.7492
  Dep-U Fr= 1--      0.2248                 0.8571                 0.8566
 Alpha2 Fr= 1--      0.1104                 0.0000                 0.0001
 Beta2  Fr= 1--      0.2522                 0.3006                 0.5667
 AlphaG Fr= 1--      0.0661                -0.0000                 0.0001
 Gamma2 Fr= 1--      0.2370                -2.6852                 0.0324
 Delta2 Fr= 1--      0.3538                -0.8108                 0.0725
 Raman1 Fr= 1--      26.929                  8.417                 15.877
 ROA1   Fr= 1--      34.078               -283.723                  5.431
 CID1   Fr= 1--       1.265                -33.710                  0.342
 Raman2 Fr= 1--       3.026                  3.607                  6.800
 ROA2   Fr= 1--       2.859                -57.959                  0.197
 CID2   Fr= 1--       0.945                -16.068                  0.029
 Raman3 Fr= 1--       6.053                  7.214                 13.601
 ROA3   Fr= 1--      34.078               -283.723                  5.431
 CID3   Fr= 1--       5.630                -39.328                  0.399
 RC180  Fr= 1--      -0.550                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.04   0.01     0.03  -0.09   0.03     0.00   0.00   0.00
     2   6    -0.04   0.04  -0.11    -0.07   0.19  -0.06    -0.00  -0.01  -0.00
     3   1    -0.07   0.06  -0.02     0.13  -0.19   0.07     0.00  -0.00  -0.00
     4   1    -0.12   0.03  -0.08    -0.07   0.30  -0.26    -0.00  -0.01   0.01
     5   6     0.06  -0.01   0.07     0.05  -0.07   0.04     0.00   0.00   0.00
     6   6    -0.08   0.02   0.04    -0.05  -0.02   0.01     0.00   0.00   0.00
     7   1     0.09   0.04  -0.32     0.04   0.19  -0.20     0.00  -0.01  -0.01
     8   1    -0.22   0.03   0.09    -0.08   0.11  -0.19    -0.01  -0.00   0.01
     9   1    -0.22  -0.06   0.20    -0.21   0.02   0.36    -0.00  -0.01  -0.01
    10   6     0.09  -0.01  -0.00    -0.07   0.01  -0.01    -0.00  -0.01  -0.00
    11   6    -0.02  -0.03  -0.01     0.04   0.04   0.01     0.04  -0.02  -0.00
    12   6    -0.03   0.06   0.01    -0.01  -0.04  -0.01    -0.01   0.07   0.01
    13   6     0.08  -0.05  -0.01    -0.01   0.02   0.00    -0.04  -0.03  -0.01
    14   6    -0.07  -0.04  -0.03     0.07   0.01   0.00     0.01  -0.01  -0.00
    15   1     0.43   0.24   0.11    -0.24  -0.11  -0.01    -0.14  -0.11  -0.03
    16   1    -0.13   0.01   0.00     0.24  -0.03   0.01     0.44  -0.19  -0.01
    17   1    -0.08   0.42   0.08     0.03  -0.30  -0.06    -0.09   0.67   0.13
    18   1     0.29   0.09   0.05    -0.08  -0.03  -0.01    -0.38  -0.28  -0.09
    19   1    -0.29   0.02   0.03     0.39  -0.12   0.02     0.14  -0.07  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1201.7799              1222.3006              1280.2328
 Red. masses --      1.1401                 2.3042                 1.2835
 Frc consts  --      0.9701                 2.0283                 1.2394
 IR Inten    --      0.3290                 1.9461                48.3717
 RamAct Fr= 1--      6.1044                27.5851                 2.5760
  Dep-P Fr= 1--      0.2503                 0.0639                 0.5105
  Dep-U Fr= 1--      0.4003                 0.1201                 0.6760
 Alpha2 Fr= 1--      0.0723                 0.5271                 0.0121
 Beta2  Fr= 1--      0.4073                 0.5520                 0.2902
 AlphaG Fr= 1--     -0.0004                -0.0515                -0.0313
 Gamma2 Fr= 1--      0.2685                 1.1649                -1.1231
 Delta2 Fr= 1--      0.1853                 0.6958                 0.1888
 Raman1 Fr= 1--      24.418                110.340                 10.304
 ROA1   Fr= 1--      31.709                134.091               -101.776
 CID1   Fr= 1--       1.299                  1.215                 -9.877
 Raman2 Fr= 1--       4.888                  6.624                  3.483
 ROA2   Fr= 1--       4.962                 22.390                -28.465
 CID2   Fr= 1--       1.015                  3.380                 -8.174
 Raman3 Fr= 1--       9.776                 13.248                  6.965
 ROA3   Fr= 1--      31.709                134.091               -101.776
 CID3   Fr= 1--       3.244                 10.122                -14.612
 RC180  Fr= 1--      -0.199                 -0.760                  0.352
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00    -0.02  -0.01   0.02     0.04  -0.03  -0.02
     2   6     0.02   0.00   0.01    -0.11  -0.01  -0.06    -0.02   0.06   0.04
     3   1    -0.03   0.02  -0.01     0.27  -0.33   0.11    -0.38   0.49  -0.14
     4   1     0.06  -0.01   0.02    -0.47   0.13  -0.17    -0.41  -0.12   0.46
     5   6    -0.01  -0.00  -0.00     0.03   0.02   0.01    -0.00  -0.08  -0.03
     6   6    -0.04  -0.00  -0.01     0.27  -0.00   0.03     0.05  -0.05  -0.01
     7   1    -0.01  -0.00   0.02     0.04  -0.02  -0.08    -0.04   0.15   0.02
     8   1     0.03   0.00  -0.02    -0.15   0.00   0.09     0.10   0.07  -0.29
     9   1     0.02   0.01  -0.01    -0.10  -0.04   0.02     0.02   0.05   0.15
    10   6     0.03   0.03   0.01     0.06   0.03   0.01     0.02   0.02   0.01
    11   6    -0.04   0.03   0.00    -0.08  -0.06  -0.02    -0.03   0.00  -0.00
    12   6    -0.01  -0.00  -0.00     0.02  -0.00   0.00     0.00  -0.02  -0.00
    13   6    -0.03  -0.04  -0.01    -0.08   0.05   0.01     0.00   0.02   0.01
    14   6     0.05  -0.02  -0.00     0.04   0.01   0.00    -0.00   0.02   0.00
    15   1     0.41   0.31   0.08    -0.03  -0.04  -0.00     0.02   0.03   0.00
    16   1    -0.40   0.18   0.01    -0.37   0.05  -0.01     0.03  -0.02  -0.00
    17   1    -0.01  -0.00  -0.00     0.01   0.04   0.01    -0.00   0.02   0.00
    18   1    -0.36  -0.28  -0.09    -0.35  -0.14  -0.05    -0.10  -0.05  -0.02
    19   1     0.50  -0.21  -0.01    -0.25   0.14   0.02    -0.11   0.06   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1319.4599              1354.7340              1386.6678
 Red. masses --      2.3563                 2.0370                 1.2725
 Frc consts  --      2.4170                 2.2026                 1.4416
 IR Inten    --     20.2050                 2.7168                 0.2915
 RamAct Fr= 1--      1.3932                 0.8514                 2.8816
  Dep-P Fr= 1--      0.2306                 0.5581                 0.6581
  Dep-U Fr= 1--      0.3748                 0.7164                 0.7938
 Alpha2 Fr= 1--      0.0174                 0.0031                 0.0047
 Beta2  Fr= 1--      0.0870                 0.1017                 0.3812
 AlphaG Fr= 1--      0.0318                -0.0059                -0.0096
 Gamma2 Fr= 1--     -0.6195                 0.1040                 1.7064
 Delta2 Fr= 1--     -0.1826                -0.0409                 0.4800
 Raman1 Fr= 1--       5.573                  3.406                 11.527
 ROA1   Fr= 1--     -65.317                  8.676                179.176
 CID1   Fr= 1--     -11.721                  2.548                 15.545
 Raman2 Fr= 1--       1.044                  1.220                  4.575
 ROA2   Fr= 1--     -13.408                  2.823                 37.115
 CID2   Fr= 1--     -12.840                  2.314                  8.113
 Raman3 Fr= 1--       2.088                  2.440                  9.150
 ROA3   Fr= 1--     -65.317                  8.676                179.176
 CID3   Fr= 1--     -31.275                  3.556                 19.583
 RC180  Fr= 1--      -0.250                  0.433                  0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03   0.01   0.00    -0.01  -0.00  -0.00    -0.01   0.03   0.02
     2   6    -0.13  -0.01  -0.02     0.05   0.01   0.00    -0.05   0.05  -0.07
     3   1    -0.14   0.19  -0.05     0.01  -0.03   0.00     0.15  -0.18   0.06
     4   1     0.34  -0.36   0.38    -0.24   0.09  -0.04     0.53  -0.39   0.42
     5   6     0.04  -0.02   0.00    -0.02   0.00   0.00     0.03  -0.01  -0.03
     6   6     0.04   0.22   0.05    -0.02   0.01   0.00     0.02  -0.06  -0.01
     7   1     0.04   0.05  -0.08    -0.01  -0.03  -0.00    -0.01   0.04   0.19
     8   1    -0.09   0.05  -0.08     0.07  -0.01  -0.01    -0.15  -0.03   0.07
     9   1    -0.11  -0.06   0.04     0.04   0.02  -0.01    -0.15   0.01   0.14
    10   6    -0.03  -0.06  -0.01    -0.15  -0.08  -0.02     0.00  -0.00  -0.00
    11   6     0.08  -0.07  -0.01     0.09  -0.02   0.00    -0.05   0.02   0.00
    12   6    -0.01   0.08   0.02    -0.02   0.15   0.03     0.00  -0.00  -0.00
    13   6    -0.09  -0.07  -0.02    -0.07  -0.04  -0.01     0.04   0.04   0.01
    14   6     0.08  -0.07  -0.01     0.15  -0.04   0.00     0.00  -0.01  -0.00
    15   1    -0.27  -0.23  -0.07     0.43   0.36   0.10     0.14   0.10   0.02
    16   1    -0.37   0.10  -0.01     0.20  -0.06   0.00     0.22  -0.09  -0.00
    17   1     0.01  -0.06  -0.01     0.05  -0.34  -0.07     0.02  -0.14  -0.03
    18   1     0.19   0.14   0.05    -0.13  -0.09  -0.03    -0.19  -0.13  -0.04
    19   1     0.20  -0.12  -0.01    -0.50   0.24   0.02    -0.18   0.07   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1394.0529              1413.0389              1484.9550
 Red. masses --      1.4144                 1.3613                 1.0791
 Frc consts  --      1.6195                 1.6015                 1.4020
 IR Inten    --     28.4614                13.8879                 1.6931
 RamAct Fr= 1--      6.0316                 6.8285                 5.9897
  Dep-P Fr= 1--      0.3370                 0.4617                 0.6425
  Dep-U Fr= 1--      0.5041                 0.6317                 0.7823
 Alpha2 Fr= 1--      0.0552                 0.0399                 0.0116
 Beta2  Fr= 1--      0.5067                 0.7189                 0.7810
 AlphaG Fr= 1--      0.0240                -0.0028                 0.0223
 Gamma2 Fr= 1--     -0.1623                -0.2858                 2.3074
 Delta2 Fr= 1--     -1.0340                -0.0015                -0.0387
 Raman1 Fr= 1--      24.126                 27.314                 23.959
 ROA1   Fr= 1--     -48.671                -27.482                220.277
 CID1   Fr= 1--      -2.017                 -1.006                  9.194
 Raman2 Fr= 1--       6.081                  8.627                  9.372
 ROA2   Fr= 1--       4.375                 -6.846                 55.688
 CID2   Fr= 1--       0.720                 -0.794                  5.942
 Raman3 Fr= 1--      12.161                 17.255                 18.744
 ROA3   Fr= 1--     -48.671                -27.482                220.277
 CID3   Fr= 1--      -4.002                 -1.593                 11.752
 RC180  Fr= 1--       0.008                  0.263                  0.565
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.01  -0.02     0.02  -0.02  -0.02     0.00   0.00  -0.00
     2   6    -0.12  -0.03   0.09    -0.04  -0.03   0.08    -0.03  -0.02  -0.00
     3   1    -0.23   0.29  -0.10    -0.19   0.24  -0.07    -0.01   0.03  -0.00
     4   1     0.51   0.13  -0.38     0.04   0.19  -0.28     0.06  -0.01  -0.05
     5   6     0.02   0.02   0.06     0.07   0.03  -0.12    -0.03  -0.03  -0.02
     6   6     0.04  -0.03  -0.02     0.00   0.01  -0.01    -0.00   0.02   0.00
     7   1     0.06  -0.00  -0.33     0.02  -0.07   0.45    -0.03   0.32  -0.35
     8   1    -0.00   0.17  -0.18    -0.26  -0.22   0.38     0.13  -0.30   0.38
     9   1     0.08  -0.16  -0.28    -0.37   0.11   0.36     0.48   0.42   0.29
    10   6     0.01  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.00   0.00
    11   6    -0.04   0.01  -0.00     0.00  -0.00   0.00    -0.02  -0.01  -0.00
    12   6     0.00   0.00   0.00    -0.00   0.01   0.00    -0.01   0.02   0.00
    13   6     0.02   0.03   0.01    -0.00  -0.00   0.00     0.02   0.01   0.00
    14   6     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.02  -0.00
    15   1     0.08   0.05   0.01     0.02   0.02  -0.01    -0.03  -0.04  -0.01
    16   1     0.13  -0.06  -0.01     0.00  -0.00   0.00     0.02  -0.03  -0.00
    17   1     0.02  -0.12  -0.02     0.00  -0.01  -0.00     0.01  -0.10  -0.02
    18   1    -0.16  -0.11  -0.04    -0.01  -0.01  -0.00    -0.07  -0.07  -0.02
    19   1    -0.15   0.05  -0.01    -0.00   0.00  -0.02    -0.02  -0.01  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.6808              1496.5617              1532.7118
 Red. masses --      1.6531                 1.1974                 2.2114
 Frc consts  --      2.1643                 1.5801                 3.0608
 IR Inten    --     16.0986                 0.4174                 7.2085
 RamAct Fr= 1--      0.8445                 4.4812                 0.1952
  Dep-P Fr= 1--      0.7158                 0.7335                 0.4950
  Dep-U Fr= 1--      0.8344                 0.8463                 0.6622
 Alpha2 Fr= 1--      0.0005                 0.0013                 0.0010
 Beta2  Fr= 1--      0.1174                 0.6321                 0.0215
 AlphaG Fr= 1--      0.0040                -0.0164                 0.0011
 Gamma2 Fr= 1--     -1.3017                -1.0219                 0.1085
 Delta2 Fr= 1--      0.4772                -1.2448                -0.1067
 Raman1 Fr= 1--       3.378                 17.925                  0.781
 ROA1   Fr= 1--    -109.687               -137.940                  6.997
 CID1   Fr= 1--     -32.473                 -7.696                  8.960
 Raman2 Fr= 1--       1.409                  7.585                  0.259
 ROA2   Fr= 1--     -35.058                -14.568                  3.457
 CID2   Fr= 1--     -24.879                 -1.921                 13.369
 Raman3 Fr= 1--       2.818                 15.169                  0.517
 ROA3   Fr= 1--    -109.687               -137.940                  6.997
 CID3   Fr= 1--     -38.920                 -9.093                 13.531
 RC180  Fr= 1--       0.669                  0.693                  0.324
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6    -0.02   0.01   0.01    -0.04   0.03  -0.00    -0.03  -0.01  -0.00
     3   1     0.00  -0.01   0.00    -0.02   0.02  -0.01    -0.01   0.01  -0.00
     4   1     0.23  -0.03  -0.03     0.16  -0.04   0.05    -0.04  -0.01   0.01
     5   6     0.01  -0.03  -0.00    -0.03   0.04  -0.01    -0.01  -0.00   0.00
     6   6     0.02  -0.11  -0.03     0.01  -0.06  -0.01     0.14   0.02   0.01
     7   1    -0.06   0.46   0.04     0.08  -0.54  -0.25     0.01  -0.02  -0.08
     8   1    -0.36   0.01   0.06     0.59  -0.14   0.07     0.07  -0.04   0.03
     9   1     0.26   0.05  -0.09    -0.20   0.11   0.27     0.03   0.05   0.05
    10   6    -0.07   0.03   0.00    -0.03   0.02   0.00    -0.05  -0.11  -0.02
    11   6     0.10   0.02   0.01     0.04   0.01   0.00    -0.13   0.09   0.01
    12   6     0.02  -0.09  -0.02     0.00  -0.05  -0.01     0.11   0.01   0.01
    13   6    -0.11  -0.01  -0.01    -0.04   0.01  -0.00    -0.09  -0.11  -0.03
    14   6     0.06   0.05   0.01     0.03   0.02   0.01    -0.08   0.08   0.01
    15   1     0.09   0.16   0.03     0.01   0.05   0.02     0.38   0.20   0.06
    16   1    -0.22   0.17   0.02    -0.12   0.08   0.01     0.47  -0.15   0.00
    17   1    -0.06   0.46   0.09    -0.03   0.21   0.04     0.13   0.01   0.01
    18   1     0.20   0.23   0.06     0.06   0.09   0.02     0.40   0.24   0.08
    19   1    -0.10   0.12   0.02    -0.08   0.07   0.01     0.43  -0.11   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1630.1248              1649.1533              2979.9925
 Red. masses --      5.5115                 5.5518                 1.0837
 Frc consts  --      8.6291                 8.8963                 5.6699
 IR Inten    --      0.3969                 2.0979                42.1206
 RamAct Fr= 1--      8.9770                51.2691               103.4532
  Dep-P Fr= 1--      0.7457                 0.5982                 0.2239
  Dep-U Fr= 1--      0.8543                 0.7486                 0.3659
 Alpha2 Fr= 1--      0.0007                 0.1443                 1.3176
 Beta2  Fr= 1--      1.2782                 6.3964                 6.3088
 AlphaG Fr= 1--      0.0057                 0.0320                 1.2745
 Gamma2 Fr= 1--     -0.7142                 0.5475                 5.2942
 Delta2 Fr= 1--      0.0129                -0.3863                -0.6187
 Raman1 Fr= 1--      35.908                205.076                413.813
 ROA1   Fr= 1--     -68.152                 40.197                488.445
 CID1   Fr= 1--      -1.898                  0.196                  1.180
 Raman2 Fr= 1--      15.338                 76.757                 75.706
 ROA2   Fr= 1--     -17.244                 16.230                132.011
 CID2   Fr= 1--      -1.124                  0.211                  1.744
 Raman3 Fr= 1--      30.677                153.515                151.411
 ROA3   Fr= 1--     -68.152                 40.197                488.445
 CID3   Fr= 1--      -2.222                  0.262                  3.226
 RC180  Fr= 1--       0.709                  0.497                 -0.268
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6    -0.02   0.04   0.01     0.03   0.00   0.00    -0.02  -0.07  -0.04
     3   1     0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   1     0.24  -0.02   0.00     0.01   0.02  -0.02     0.18   0.83   0.52
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     6   6     0.04  -0.30  -0.06    -0.22  -0.01  -0.01     0.00  -0.00  -0.00
     7   1     0.00  -0.01  -0.01    -0.00   0.01   0.04    -0.04  -0.00  -0.01
     8   1     0.01   0.01  -0.01    -0.03   0.00   0.00    -0.01  -0.06  -0.03
     9   1    -0.01  -0.00   0.01    -0.01  -0.01  -0.01     0.02  -0.02   0.01
    10   6     0.08   0.20   0.05     0.28   0.11   0.04     0.00   0.00  -0.00
    11   6     0.08  -0.19  -0.03    -0.28   0.04  -0.01     0.00  -0.00  -0.00
    12   6    -0.04   0.35   0.07     0.14   0.01   0.01     0.00   0.00   0.00
    13   6    -0.05  -0.21  -0.05    -0.25  -0.09  -0.04    -0.00   0.00   0.00
    14   6    -0.12   0.17   0.03     0.31  -0.06   0.01     0.00   0.00   0.00
    15   1    -0.29  -0.07  -0.03    -0.26  -0.30  -0.07    -0.00   0.00   0.00
    16   1    -0.22  -0.08  -0.03     0.28  -0.20  -0.02     0.00   0.00   0.00
    17   1     0.08  -0.47  -0.09     0.15   0.03   0.02    -0.00   0.00  -0.00
    18   1     0.26  -0.00   0.02     0.20   0.25   0.07    -0.00   0.00  -0.00
    19   1     0.30   0.01   0.02    -0.35   0.22   0.03    -0.01  -0.02  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3041.5876              3111.8572              3115.3334
 Red. masses --      1.0337                 1.1030                 1.1023
 Frc consts  --      5.6345                 6.2928                 6.3032
 IR Inten    --     16.5469                25.2980                20.0056
 RamAct Fr= 1--    204.7413                96.5910                78.7627
  Dep-P Fr= 1--      0.0336                 0.5662                 0.6891
  Dep-U Fr= 1--      0.0650                 0.7230                 0.8159
 Alpha2 Fr= 1--      4.2046                 0.3358                 0.0842
 Beta2  Fr= 1--      2.2193                11.6399                10.7105
 AlphaG Fr= 1--      0.0846                -0.0903                 0.0679
 Gamma2 Fr= 1--      1.1965                -2.8708                 0.8663
 Delta2 Fr= 1--     -0.1160                -7.6674                 8.0175
 Raman1 Fr= 1--     818.965                386.364                315.051
 ROA1   Fr= 1--     111.152               -520.948                339.724
 CID1   Fr= 1--       0.136                 -1.348                  1.078
 Raman2 Fr= 1--      26.632                139.679                128.526
 ROA2   Fr= 1--      29.644                 -7.559                -43.349
 CID2   Fr= 1--       1.113                 -0.054                 -0.337
 Raman3 Fr= 1--      53.264                279.359                257.052
 ROA3   Fr= 1--     111.152               -520.948                339.724
 CID3   Fr= 1--       2.087                 -1.865                  1.322
 RC180  Fr= 1--      -0.870                  0.446                  0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
     3   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   1    -0.00  -0.00  -0.00     0.01   0.07   0.04     0.00   0.02   0.02
     5   6    -0.02   0.00   0.04    -0.06  -0.07  -0.03     0.06  -0.07   0.03
     6   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   1     0.58   0.08   0.07     0.64   0.07   0.07    -0.47  -0.08  -0.05
     8   1    -0.11  -0.50  -0.31     0.11   0.62   0.39     0.06   0.22   0.15
     9   1    -0.21   0.42  -0.26    -0.06   0.09  -0.07    -0.31   0.65  -0.41
    10   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.01  -0.01  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00   0.00    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3157.9221              3168.8522              3178.6958
 Red. masses --      1.0868                 1.0862                 1.0902
 Frc consts  --      6.3858                 6.4265                 6.4900
 IR Inten    --      7.6796                 0.1090                14.5037
 RamAct Fr= 1--     51.1774                96.0395               105.0788
  Dep-P Fr= 1--      0.4832                 0.6408                 0.6637
  Dep-U Fr= 1--      0.6516                 0.7811                 0.7979
 Alpha2 Fr= 1--      0.2727                 0.1894                 0.1614
 Beta2  Fr= 1--      5.5578                12.5022                13.9736
 AlphaG Fr= 1--     -0.0985                -0.0394                -0.0138
 Gamma2 Fr= 1--     -0.5519                 1.1287                -0.8579
 Delta2 Fr= 1--      0.2541                 0.4438                -0.5196
 Raman1 Fr= 1--     204.710                384.158                420.315
 ROA1   Fr= 1--     -44.852                122.556                -98.987
 CID1   Fr= 1--      -0.219                  0.319                 -0.236
 Raman2 Fr= 1--      66.693                150.026                167.683
 ROA2   Fr= 1--     -15.278                 23.538                -16.433
 CID2   Fr= 1--      -0.229                  0.157                 -0.098
 Raman3 Fr= 1--     133.387                300.052                335.366
 ROA3   Fr= 1--     -44.852                122.556                -98.987
 CID3   Fr= 1--      -0.336                  0.408                 -0.295
 RC180  Fr= 1--       0.303                  0.562                  0.596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   1     0.01   0.02   0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   1     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     9   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6    -0.00   0.00   0.00    -0.02   0.02   0.00    -0.02   0.03   0.00
    11   6    -0.00  -0.01  -0.00    -0.02  -0.05  -0.01    -0.01  -0.03  -0.01
    12   6     0.01   0.00   0.00     0.04   0.01   0.00    -0.04  -0.00  -0.00
    13   6    -0.02   0.03   0.00    -0.01   0.01   0.00     0.03  -0.04  -0.01
    14   6    -0.03  -0.07  -0.02     0.01   0.02   0.01    -0.01  -0.02  -0.01
    15   1     0.03  -0.04  -0.01     0.20  -0.25  -0.04     0.25  -0.32  -0.05
    16   1     0.04   0.11   0.03     0.26   0.62   0.15     0.16   0.39   0.09
    17   1    -0.17  -0.02  -0.02    -0.53  -0.07  -0.05     0.41   0.05   0.04
    18   1     0.24  -0.32  -0.05     0.12  -0.15  -0.02    -0.38   0.49   0.08
    19   1     0.33   0.80   0.20    -0.11  -0.27  -0.07     0.11   0.26   0.06
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3188.2761              3195.5658              3792.7286
 Red. masses --      1.0927                 1.0973                 1.0661
 Frc consts  --      6.5445                 6.6017                 9.0355
 IR Inten    --     18.2977                12.4077                20.4374
 RamAct Fr= 1--     22.1503               326.3160                99.6561
  Dep-P Fr= 1--      0.5387                 0.1033                 0.1699
  Dep-U Fr= 1--      0.7002                 0.1872                 0.2905
 Alpha2 Fr= 1--      0.0901                 5.6676                 1.4640
 Beta2  Fr= 1--      2.5851                10.1818                 4.8250
 AlphaG Fr= 1--     -0.0542                 0.0155                -1.6699
 Gamma2 Fr= 1--     -0.0568                -0.2748                -9.2142
 Delta2 Fr= 1--     -1.8368                 0.6672                -1.3672
 Raman1 Fr= 1--      88.601               1305.264                398.625
 ROA1   Fr= 1--     -64.229                 -5.034               -928.311
 CID1   Fr= 1--      -0.725                 -0.004                 -2.329
 Raman2 Fr= 1--      31.021                122.181                 57.900
 ROA2   Fr= 1--      13.332                -11.933               -210.203
 CID2   Fr= 1--       0.430                 -0.098                 -3.630
 Raman3 Fr= 1--      62.042                244.362                115.800
 ROA3   Fr= 1--     -64.229                 -5.034               -928.311
 CID3   Fr= 1--      -1.035                 -0.021                 -8.016
 RC180  Fr= 1--       0.400                 -0.626                 -0.419
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.03   0.01  -0.05
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.45  -0.16   0.88
     4   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.04  -0.05  -0.01     0.03  -0.03  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.02  -0.00    -0.02  -0.04  -0.01    -0.00  -0.00  -0.00
    12   6     0.03   0.01   0.00    -0.05  -0.01  -0.00     0.00  -0.00   0.00
    13   6     0.03  -0.03  -0.01    -0.02   0.03   0.01     0.00   0.00  -0.00
    14   6    -0.01  -0.01  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
    15   1    -0.44   0.56   0.09    -0.28   0.35   0.05    -0.00  -0.00  -0.00
    16   1     0.09   0.21   0.05     0.19   0.46   0.11     0.00   0.00   0.00
    17   1    -0.39  -0.05  -0.04     0.59   0.07   0.05     0.00  -0.00   0.00
    18   1    -0.30   0.38   0.06     0.24  -0.31  -0.05     0.00  -0.00  -0.00
    19   1     0.06   0.14   0.03    -0.04  -0.10  -0.02    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   517.510441627.663341835.40748
           X            0.99984   0.01236  -0.01287
           Y           -0.01215   0.99980   0.01611
           Z            0.01306  -0.01595   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16737     0.05321     0.04719
 Rotational constants (GHZ):           3.48735     1.10879     0.98329
 Zero-point vibrational energy     422585.9 (Joules/Mol)
                                  101.00045 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     61.88   184.99   299.70   363.95   441.33
          (Kelvin)            475.88   526.53   597.19   699.33   793.80
                              892.49   917.68  1029.55  1119.61  1124.66
                             1241.26  1320.38  1340.93  1394.30  1415.45
                             1451.95  1476.44  1515.75  1540.25  1585.96
                             1624.57  1704.65  1729.09  1758.62  1841.97
                             1898.41  1949.16  1995.11  2005.73  2033.05
                             2136.52  2144.76  2153.22  2205.23  2345.39
                             2372.76  4287.54  4376.17  4477.27  4482.27
                             4543.55  4559.27  4573.43  4587.22  4597.71
                             5456.89
 
 Zero-point correction=                           0.160954 (Hartree/Particle)
 Thermal correction to Energy=                    0.169314
 Thermal correction to Enthalpy=                  0.170258
 Thermal correction to Gibbs Free Energy=         0.127601
 Sum of electronic and zero-point Energies=           -386.117534
 Sum of electronic and thermal Energies=              -386.109175
 Sum of electronic and thermal Enthalpies=            -386.108231
 Sum of electronic and thermal Free Energies=         -386.150888
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.246             32.149             89.780
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.826
 Vibrational            104.468             26.187             20.641
 Vibration     1          0.595              1.980              5.116
 Vibration     2          0.611              1.925              2.967
 Vibration     3          0.642              1.828              2.059
 Vibration     4          0.664              1.758              1.710
 Vibration     5          0.697              1.661              1.380
 Vibration     6          0.713              1.614              1.256
 Vibration     7          0.739              1.542              1.097
 Vibration     8          0.778              1.438              0.909
 Vibration     9          0.842              1.281              0.694
 Vibration    10          0.907              1.136              0.541
 Vibration    11          0.980              0.989              0.416
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.203176D-58        -58.692129       -135.143620
 Total V=0       0.219643D+16         15.341717         35.325609
 Vib (Bot)       0.861060D-72        -72.064966       -165.935718
 Vib (Bot)    1  0.480987D+01          0.682133          1.570670
 Vib (Bot)    2  0.158612D+01          0.200336          0.461290
 Vib (Bot)    3  0.954148D+00         -0.020384         -0.046936
 Vib (Bot)    4  0.770463D+00         -0.113248         -0.260763
 Vib (Bot)    5  0.617618D+00         -0.209280         -0.481886
 Vib (Bot)    6  0.564650D+00         -0.248221         -0.571550
 Vib (Bot)    7  0.498856D+00         -0.302025         -0.695439
 Vib (Bot)    8  0.424629D+00         -0.371990         -0.856539
 Vib (Bot)    9  0.342292D+00         -0.465603         -1.072090
 Vib (Bot)   10  0.283972D+00         -0.546724         -1.258880
 Vib (Bot)   11  0.235674D+00         -0.627689         -1.445307
 Vib (V=0)       0.930849D+02          1.968879          4.533512
 Vib (V=0)    1  0.533579D+01          0.727198          1.674436
 Vib (V=0)    2  0.216306D+01          0.335069          0.771524
 Vib (V=0)    3  0.157722D+01          0.197892          0.455663
 Vib (V=0)    4  0.141848D+01          0.151825          0.349589
 Vib (V=0)    5  0.129464D+01          0.112149          0.258232
 Vib (V=0)    6  0.125421D+01          0.098369          0.226504
 Vib (V=0)    7  0.120630D+01          0.081455          0.187556
 Vib (V=0)    8  0.115598D+01          0.062950          0.144948
 Vib (V=0)    9  0.110594D+01          0.043732          0.100696
 Vib (V=0)   10  0.107501D+01          0.031414          0.072333
 Vib (V=0)   11  0.105276D+01          0.022329          0.051414
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.445096D+06          5.648454         13.006045
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                3333333  3 2                                           11 1111111111111111111                                  
     7                1111111  0 9                                           66 54444333322211100009999 877  7 66 5 4  4333 2 2 1    
     9                9876511  4 8                                           43 39981985182082075208631 687  1 32 5 8  1630 5 0 2  4 
     3                6899852  2 0                                           90 37153475902259214694928 328  6 80 2 6  5617 3 8 9  3 
 
     X                XXXXXXX  X X                                           XX XXXXXXXXXXXXXXXXXXXX XX XXX  X XX X X  XXXX X X X  X 
     X                XXX XXX  X X                                              X X XX  XX   XXX  X   X   X  X  X X     XX           
     X                XXX  XX  X X                                                X XX  XX   XXX  X       X  X    X     XX           
     X                 X   XX    X                                                   X  XX    XX  X       X  X    X     XX           
                            X    X                                                   X   X    X   X       X  X          XX           
                                 X                                                   X   X    X   X          X          XX           
                                 X                                                       X    X   X          X          XX           
                                 X                                                       X        X          X          XX           
                                 X                                                       X        X          X           X           
                                                                                         X                               X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000008896    0.000001307   -0.000000556
      2        6           0.000011671   -0.000009850    0.000001709
      3        1           0.000002840   -0.000003502    0.000002386
      4        1          -0.000005052    0.000001867   -0.000001673
      5        6          -0.000001543    0.000001372   -0.000005005
      6        6          -0.000004773    0.000028650    0.000007567
      7        1          -0.000000092    0.000001046    0.000001724
      8        1          -0.000000484    0.000002188   -0.000002097
      9        1          -0.000000036    0.000002000   -0.000001939
     10        6          -0.000017629   -0.000018327   -0.000005287
     11        6           0.000023488   -0.000010615   -0.000000843
     12        6          -0.000004549    0.000025099    0.000005038
     13        6          -0.000022285   -0.000014946   -0.000004968
     14        6           0.000028933   -0.000010463    0.000001388
     15        1           0.000002584    0.000001650   -0.000000070
     16        1          -0.000002717    0.000000792   -0.000001915
     17        1          -0.000000444   -0.000002946    0.000000929
     18        1           0.000001874    0.000002784    0.000001341
     19        1          -0.000002889    0.000001894    0.000002274
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000028933 RMS     0.000009456
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132377D+03  0.850024D+00  0.603501D+00
      2   0.850024D+00  0.106637D+03  0.512941D+01
      3   0.603501D+00  0.512941D+01  0.759913D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.140532D+01  0.620257D+01  0.459964D+01
      2   0.254645D+01  0.133943D+02 -0.562178D+01
      3  -0.864417D+01 -0.435529D+02 -0.133018D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.986966D+02  0.437572D+01  0.650105D+01
      2  -0.337231D+02 -0.128101D+02 -0.160031D+02
      3  -0.649734D+02  0.843441D+01  0.950206D+01
      4  -0.143824D+02  0.859972D+02  0.308797D+02
      5   0.332649D+02  0.319955D+02 -0.187382D+02
      6   0.125057D+02  0.943448D+01 -0.645819D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.643628D+01  0.219788D+01 -0.143337D+01  0.418939D+01 -0.242886D+01
      2   0.219788D+01 -0.111191D+01  0.197933D+01 -0.242886D+01  0.963626D+00
      3  -0.143337D+01  0.197933D+01 -0.353244D+01  0.159594D+01 -0.137123D+01
                 6             7             8             9            10 
      1   0.159594D+01  0.745083D+00  0.103007D+01 -0.265955D+01  0.670058D+01
      2  -0.137123D+01  0.103007D+01  0.140634D+01 -0.911552D+00  0.356351D+00
      3  -0.585763D+00 -0.265955D+01 -0.911552D+00  0.447630D+01 -0.120437D+01
                11            12            13            14            15 
      1   0.356351D+00 -0.120437D+01 -0.284070D+00  0.320017D+01 -0.195621D+01
      2   0.481095D+00 -0.150830D+01  0.320017D+01  0.465958D+01  0.429182D+01
      3  -0.150830D+01  0.245186D+01 -0.195621D+01  0.429182D+01  0.126766D+01
                16            17            18            19            20 
      1  -0.528650D+01 -0.161178D+01  0.540227D+01  0.115898D+01  0.484426D-01
      2  -0.161178D+01  0.254897D+01  0.215055D+01  0.484426D-01  0.593394D+00
      3   0.540227D+01  0.215055D+01 -0.211220D+01 -0.442253D+00 -0.108221D+01
                21            22            23            24            25 
      1  -0.442253D+00  0.223321D+00 -0.295640D+00 -0.976132D-01 -0.196118D+01
      2  -0.108221D+01 -0.295640D+00  0.146042D+01 -0.132830D+01  0.115991D+00
      3   0.270046D+01 -0.976132D-01 -0.132830D+01  0.168876D+01 -0.726171D-01
                26            27            28            29            30 
      1   0.115991D+00 -0.726171D-01 -0.707074D+00 -0.147141D+01 -0.525496D+00
      2  -0.191610D+01  0.237975D+01 -0.147141D+01 -0.109628D+01 -0.387502D+00
      3   0.237975D+01 -0.785949D+01 -0.525496D+00 -0.387502D+00 -0.903977D+00
                31            32            33            34            35 
      1  -0.319400D+01 -0.223806D+01 -0.583842D+00 -0.556094D+00 -0.747021D+00
      2  -0.223806D+01 -0.629398D+01 -0.238992D+01 -0.747021D+00 -0.258179D+01
      3  -0.583842D+00 -0.238992D+01 -0.229390D+01 -0.136123D+01 -0.210510D+01
                36            37            38            39            40 
      1  -0.136123D+01  0.100245D+02  0.179518D+01  0.755944D-01  0.149037D+01
      2  -0.210510D+01  0.179518D+01 -0.191331D+01  0.102067D+01 -0.165658D+01
      3  -0.206330D+01  0.755944D-01  0.102067D+01 -0.314248D+01  0.138328D+01
                41            42            43            44            45 
      1  -0.165658D+01  0.138328D+01  0.681894D+01  0.168922D+01 -0.447157D+01
      2  -0.316737D+00 -0.469300D+01  0.168922D+01 -0.315848D+01 -0.124184D+01
      3  -0.469300D+01 -0.620281D+00 -0.447157D+01 -0.124184D+01  0.140163D+01
                46            47            48            49            50 
      1  -0.202607D+02 -0.205424D+01 -0.750166D-01 -0.359945D+01  0.145428D+01
      2  -0.205424D+01 -0.260112D+01  0.438815D+00  0.145428D+01 -0.624600D+00
      3  -0.750166D-01  0.438815D+00 -0.274244D+01  0.116150D+01 -0.192609D+00
                51            52            53            54            55 
      1   0.116150D+01 -0.723639D+00  0.126324D+01 -0.439398D+01 -0.151965D+02
      2  -0.192609D+00  0.126324D+01 -0.563246D+00 -0.615845D+00 -0.189927D+01
      3  -0.872870D-01 -0.439398D+01 -0.615845D+00 -0.760686D+00  0.186616D+01
                56            57            58            59            60 
      1  -0.189927D+01  0.186616D+01 -0.188293D+01 -0.156037D+01  0.221389D+00
      2  -0.116247D+01  0.234691D+00 -0.156037D+01 -0.607409D+00  0.597857D+00
      3   0.234691D+00 -0.150766D+01  0.221389D+00  0.597857D+00 -0.241067D+00
                61            62            63            64            65 
      1  -0.170831D+01 -0.319587D+00 -0.687122D+00 -0.334324D+00  0.615490D+00
      2  -0.319587D+00  0.224061D-01 -0.781139D-01  0.615490D+00  0.389295D+00
      3  -0.687122D+00 -0.781139D-01 -0.173693D+00  0.212458D+00  0.701354D-01
                66            67            68            69            70 
      1   0.212458D+00  0.190382D+01 -0.143341D+00 -0.850878D+00  0.666477D+00
      2   0.701354D-01 -0.143341D+00  0.371869D+01  0.251599D+01 -0.274710D+00
      3   0.895195D+00 -0.850878D+00  0.251599D+01  0.324814D+01 -0.136335D+00
                71            72            73            74            75 
      1  -0.274710D+00 -0.136335D+00 -0.162660D+00 -0.962758D+00  0.553611D+00
      2   0.206522D+01  0.162003D+01 -0.962758D+00  0.124336D+01 -0.870640D+00
      3   0.162003D+01  0.334379D+01  0.553611D+00 -0.870640D+00  0.156944D+01
                76            77            78            79            80 
      1  -0.142368D+01  0.274252D+00 -0.765175D-01  0.358050D+00 -0.281987D+00
      2   0.274252D+00 -0.414453D+01  0.277502D+01 -0.281987D+00  0.209278D+01
      3  -0.765175D-01  0.277502D+01 -0.261296D+01  0.309582D+00 -0.178430D+01
                81            82            83            84            85 
      1   0.309582D+00  0.486638D+01 -0.748137D+00  0.404376D+00  0.945921D+01
      2  -0.178430D+01 -0.748137D+00 -0.395116D+01 -0.711372D+00  0.995389D-01
      3   0.297919D+01  0.404376D+00 -0.711372D+00 -0.204771D+01  0.557513D+00
                86            87            88            89            90 
      1   0.995389D-01  0.557513D+00  0.299924D+01 -0.195672D+00 -0.176003D+01
      2   0.162590D+01 -0.963107D+00 -0.195672D+00 -0.163050D+01  0.314125D+01
      3  -0.963107D+00  0.194679D+01 -0.176003D+01  0.314125D+01  0.125740D+01
                91            92            93            94            95 
      1  -0.528421D+01 -0.844027D+00 -0.351875D+00  0.583355D+01  0.345989D+00
      2  -0.844027D+00  0.288868D+01 -0.214806D+00  0.345989D+00  0.127102D+01
      3  -0.351875D+00 -0.214806D+00  0.992311D+00 -0.318564D+00 -0.119440D+01
                96            97            98            99           100 
      1  -0.318564D+00  0.626127D+00 -0.746246D+00  0.200056D+01  0.672417D+01
      2  -0.119440D+01 -0.746246D+00 -0.127852D+01  0.391532D+01  0.483180D+00
      3   0.234807D+01  0.200056D+01  0.391532D+01  0.262500D+01 -0.412374D+00
               101           102           103           104           105 
      1   0.483180D+00 -0.412374D+00  0.120285D+01 -0.770448D+00 -0.129089D+01
      2   0.356097D+01  0.407690D-01 -0.770448D+00  0.193721D+00 -0.583527D+00
      3   0.407690D-01  0.331066D+01 -0.129089D+01 -0.583527D+00  0.257931D+00
               106           107           108           109           110 
      1  -0.300150D-01 -0.131768D+01  0.556094D+01 -0.363579D+01 -0.751040D+00
      2  -0.131768D+01  0.855970D-01  0.485443D+00 -0.751040D+00  0.322300D+01
      3   0.556094D+01  0.485443D+00  0.114530D+01 -0.586409D+00  0.875404D+00
               111           112           113           114           115 
      1  -0.586409D+00 -0.676385D+01 -0.867438D+00 -0.103105D+01 -0.198225D+01
      2   0.875404D+00 -0.867438D+00 -0.899272D+00  0.137149D+01 -0.642352D+00
      3   0.191876D+01 -0.103105D+01  0.137149D+01 -0.227157D+01  0.299280D+01
               116           117           118           119           120 
      1  -0.642352D+00  0.299280D+01  0.677520D+01  0.270699D+01  0.110169D+01
      2   0.185098D+01 -0.330460D+01  0.270699D+01 -0.289597D+01 -0.213036D+00
      3  -0.330460D+01 -0.160468D+01  0.110169D+01 -0.213036D+00 -0.107546D+01
               121           122           123           124           125 
      1  -0.770568D+01 -0.564599D+00  0.161967D+00 -0.863384D+00  0.106792D+01
      2  -0.564599D+00 -0.187313D+01  0.118513D+01  0.106792D+01  0.114572D+01
      3   0.161967D+00  0.118513D+01 -0.211935D+01 -0.104935D+01 -0.355851D+01
               126           127           128           129           130 
      1  -0.104935D+01 -0.327260D+01  0.232792D+01  0.233782D+00  0.239858D+01
      2  -0.355851D+01  0.232792D+01 -0.278654D+01 -0.316706D+00 -0.290621D+01
      3  -0.279531D+01  0.233782D+00 -0.316706D+00 -0.382738D+00 -0.536123D+00
               131           132           133           134           135 
      1  -0.290621D+01 -0.536123D+00  0.208644D+00 -0.463262D+00 -0.116051D-01
      2   0.593798D+01  0.833226D+00 -0.463262D+00  0.103613D+01  0.188006D+00
      3   0.833226D+00  0.729474D+00 -0.116051D-01  0.188006D+00  0.194720D+00
               136           137           138           139           140 
      1   0.229176D+01  0.266907D+01  0.654087D+00  0.232042D+01  0.387365D+01
      2   0.266907D+01  0.290797D+01  0.682905D+00  0.387365D+01  0.946657D+01
      3   0.654087D+00  0.682905D+00  0.453028D+00  0.886068D+00  0.201488D+01
               141           142           143           144           145 
      1   0.886068D+00  0.712474D+00  0.100672D+01  0.236615D+00  0.132936D+02
      2   0.201488D+01  0.100672D+01  0.215461D+01  0.431513D+00  0.127032D+01
      3   0.117506D+01  0.236615D+00  0.431513D+00  0.250285D+00  0.100888D+01
               146           147           148           149           150 
      1   0.127032D+01  0.100888D+01  0.116514D+01  0.168847D+01  0.447162D+00
      2   0.823818D+00  0.954776D-01  0.168847D+01  0.463866D+00  0.157007D+00
      3   0.954776D-01  0.818276D+00  0.447162D+00  0.157007D+00  0.134997D+00
               151           152           153           154           155 
      1   0.105301D+01  0.424250D+00  0.120050D-01  0.500797D+01 -0.397266D+01
      2   0.424250D+00  0.107625D+00  0.170900D-01 -0.397266D+01  0.362391D+01
      3   0.120050D-01  0.170900D-01  0.129639D+00 -0.593002D+00  0.465615D+00
               156           157           158           159           160 
      1  -0.593002D+00 -0.378916D+01  0.456565D+01  0.827564D+00 -0.596495D+00
      2   0.465615D+00  0.456565D+01 -0.666357D+01 -0.109124D+01  0.702070D+00
      3   0.534379D+00  0.827564D+00 -0.109124D+01 -0.800091D+00  0.159812D+00
               161           162           163           164           165 
      1   0.702070D+00  0.159812D+00 -0.155305D+01 -0.176727D+01 -0.486464D+00
      2  -0.130507D+01 -0.175495D+00 -0.176727D+01 -0.221674D+01 -0.599224D+00
      3  -0.175495D+00 -0.141185D+00 -0.486464D+00 -0.599224D+00 -0.309463D+00
               166           167           168           169           170 
      1  -0.154382D+01 -0.207045D+01 -0.500698D+00 -0.480180D+00 -0.699186D+00
      2  -0.207045D+01 -0.833815D+01 -0.193508D+01 -0.699186D+00 -0.208266D+01
      3  -0.500698D+00 -0.193508D+01 -0.116462D+01 -0.711866D-01 -0.553594D+00
               171 
      1  -0.711866D-01
      2  -0.553594D+00
      3  -0.292725D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.584687D+00  0.305356D+01  0.291108D+01  0.147068D+00 -0.345608D+01
      2  -0.430101D+01 -0.407184D+01  0.140148D+02 -0.427388D+00  0.644842D+00
      3   0.415233D+01 -0.105263D+02  0.584414D+01 -0.291483D+01  0.487783D+01
                 6             7             8             9            10 
      1  -0.247260D+01 -0.157626D+01  0.456036D+01 -0.589608D+01 -0.137112D+01
      2   0.200391D+01  0.615466D+01  0.451976D+01 -0.119540D+02  0.451857D+01
      3  -0.273482D+01  0.316248D+01  0.144462D+01 -0.471260D+01 -0.299025D+01
                11            12            13            14            15 
      1  -0.343882D+00 -0.843471D-01  0.210678D+01  0.376480D+01 -0.327490D+00
      2   0.218004D+01 -0.406375D+01  0.580105D+00 -0.843446D+01 -0.284956D+01
      3   0.136745D+01 -0.761854D+00  0.129470D+02  0.598193D+01  0.102807D+02
                16            17            18            19            20 
      1   0.424875D+01  0.283855D+01 -0.689561D+00 -0.240703D+00 -0.460831D+00
      2  -0.173553D+02 -0.573660D+01  0.362859D+01  0.558004D+01  0.226558D+01
      3   0.385684D+00  0.971670D+01  0.152061D+01  0.224767D+01  0.225092D+01
                21            22            23            24            25 
      1  -0.227079D+01 -0.232910D+00 -0.115453D+00 -0.144078D+01 -0.441411D+00
      2  -0.660395D+01  0.405427D+00  0.269337D+01 -0.436151D+01 -0.545916D+01
      3  -0.316981D+01  0.169770D+01  0.299673D+01 -0.275939D+01 -0.122475D+01
                26            27            28            29            30 
      1   0.100857D+01  0.513430D+01 -0.587652D+00 -0.217330D+00 -0.113786D+01
      2  -0.607777D+01  0.178396D+02  0.932571D+00  0.486391D+00  0.264916D+01
      3  -0.383558D+01  0.850750D+01 -0.337709D+01 -0.277176D+01 -0.597801D+00
                31            32            33            34            35 
      1  -0.516570D+00  0.597238D+00 -0.372213D+01 -0.898820D+00  0.578807D+00
      2  -0.186826D+00  0.421475D+01  0.469729D+01  0.718962D+00  0.295531D+01
      3   0.122473D+01 -0.123598D+02 -0.491526D+01  0.193521D+00 -0.503656D+01
                36            37            38            39            40 
      1  -0.230986D+01  0.307838D+01 -0.347618D+01 -0.354117D+00 -0.471676D-01
      2   0.351652D+01 -0.136898D+02 -0.497245D+01  0.121103D+02 -0.386494D+01
      3  -0.306231D+01  0.124207D+01 -0.100065D+02  0.174022D+01 -0.230908D+01
                41            42            43            44            45 
      1  -0.255131D+01 -0.106996D+02 -0.224903D+01 -0.504764D+01 -0.154386D+00
      2   0.149862D+02  0.592005D+00  0.728765D+01  0.260087D+01  0.972693D+00
      3   0.154915D-01 -0.155926D+02 -0.570466D+00 -0.136219D+02 -0.178974D+00
                46            47            48            49            50 
      1  -0.887600D+00 -0.284730D-01  0.104470D+00 -0.112190D+01 -0.387749D+01
      2  -0.443985D+01 -0.889103D+00 -0.100056D+01 -0.159732D+01  0.835456D+00
      3   0.145530D+01  0.655247D+01  0.127800D+01  0.195508D+02  0.174761D+01
                51            52            53            54            55 
      1   0.136063D+01 -0.666132D+00  0.107087D+02  0.267533D+01 -0.103054D+01
      2   0.474243D+00 -0.158462D+02  0.706557D+00 -0.764696D+00  0.104715D+02
      3  -0.142973D+01  0.176175D+00 -0.810331D+00  0.627939D-01  0.278569D+01
                56            57            58            59            60 
      1  -0.195018D+01 -0.122751D+01 -0.167569D+01 -0.193572D+00 -0.163723D+00
      2   0.131444D+01  0.633939D+01  0.144645D+01 -0.442906D+00  0.954588D+00
      3  -0.581849D+01 -0.232849D+00 -0.223791D+01 -0.103063D+01  0.168380D+01
                61            62            63            64            65 
      1  -0.537780D+00  0.979832D+00 -0.229761D+00  0.168506D+01  0.136885D+01
      2   0.143968D+01  0.185537D+00  0.108009D+01 -0.158317D+01 -0.126207D+01
      3  -0.164746D+00  0.136790D+01  0.361095D+00  0.280607D+01  0.119666D+01
                66            67            68            69            70 
      1   0.177977D+00  0.513727D+00  0.810387D+01  0.330187D+01 -0.231059D+00
      2  -0.210877D+01 -0.163040D+01 -0.743429D+01 -0.771465D+01 -0.204277D+01
      3   0.240981D+00  0.208395D+01  0.109902D+02  0.730454D+01 -0.400385D+00
                71            72            73            74            75 
      1   0.568676D+01  0.376064D+01 -0.139777D+01  0.208289D+01  0.443257D+00
      2  -0.432919D+01 -0.798728D+01 -0.295369D+01  0.307973D+01 -0.348926D+01
      3   0.607393D+01  0.465080D+01 -0.366630D+01  0.376862D+01 -0.225163D+01
                76            77            78            79            80 
      1   0.103032D+01 -0.478884D+01  0.394268D+00  0.290770D+00  0.364522D+01
      2   0.317176D+01 -0.797207D+01  0.652137D+01 -0.325170D+01  0.486516D+01
      3   0.427043D+01 -0.105184D+02  0.716901D+01 -0.109691D+01  0.566746D+01
                81            82            83            84            85 
      1  -0.352701D+00 -0.282134D+00 -0.616608D+00  0.368553D+01 -0.104525D+01
      2  -0.735707D+01  0.218159D+01  0.340065D+00 -0.164843D+01  0.420771D+01
      3  -0.509955D+01 -0.135836D+01  0.123213D+01  0.812848D+00  0.134766D+01
                86            87            88            89            90 
      1   0.452217D+00 -0.246733D+01  0.753868D+01  0.308662D+01  0.658418D+00
      2   0.643053D+00  0.625407D+00 -0.122735D+02 -0.104647D+00  0.339135D+00
      3  -0.725728D+01  0.786206D+00 -0.179036D+01  0.276148D+00 -0.615448D+01
                91            92            93            94            95 
      1  -0.557600D-01  0.128041D+01 -0.266638D+01  0.157837D+01  0.111399D+00
      2  -0.762623D+00  0.252075D+01  0.181182D+00  0.121568D+01 -0.329641D+01
      3   0.406170D+01 -0.135985D+02 -0.234664D+01  0.309334D+01 -0.929840D+00
                96            97            98            99           100 
      1  -0.388825D+01 -0.513000D+01  0.854862D+00 -0.132998D+01  0.357798D+00
      2   0.604745D+01 -0.850536D+01  0.914282D+01  0.426098D+01  0.252524D+00
      3   0.191037D+01 -0.371310D+00  0.246787D+01 -0.464952D+01 -0.293937D+01
               101           102           103           104           105 
      1  -0.583220D+00 -0.121420D+01 -0.126104D+01 -0.274286D+01  0.270710D+01
      2  -0.528036D+00  0.910020D+01 -0.501165D+01 -0.126372D+00  0.121328D+01
      3  -0.752860D+01  0.348068D+00  0.125575D+02 -0.184251D+01  0.148410D+01
               106           107           108           109           110 
      1  -0.222021D+01  0.114741D+02  0.289715D+01 -0.365875D+00 -0.107255D+01
      2   0.844779D+01  0.222663D+01  0.258856D+01 -0.937920D+00  0.186157D+01
      3   0.401800D+01  0.100298D+01 -0.721166D+00  0.370864D+01 -0.113416D+02
               111           112           113           114           115 
      1   0.360425D+01 -0.143385D+01 -0.170839D+00 -0.232960D+01  0.713175D+01
      2   0.280255D+01 -0.741184D+00  0.370423D+01 -0.681098D+01 -0.399302D+01
      3  -0.196351D+01  0.750501D+01  0.152847D+01 -0.239037D+01 -0.751491D-01
               116           117           118           119           120 
      1   0.349507D+01  0.125117D+01  0.270969D+00  0.139986D+01 -0.273607D+01
      2  -0.102506D+02 -0.429311D+01  0.346640D+01  0.136613D+01 -0.160337D+01
      3  -0.356049D+01  0.432949D+01 -0.554259D+01 -0.235818D+01 -0.225337D+01
               121           122           123           124           125 
      1   0.118413D+01  0.105782D+01 -0.308538D+01 -0.531105D+01  0.103992D+01
      2   0.172051D+01 -0.691550D+00 -0.118764D+01 -0.135353D+02 -0.141712D+01
      3   0.266251D+01  0.671018D+01  0.598787D-02 -0.176686D+01 -0.490963D+00
               126           127           128           129           130 
      1  -0.117434D+01  0.241502D+00 -0.561560D+00  0.219448D+01  0.208833D+00
      2  -0.264551D+01  0.166006D+01 -0.737448D+00  0.776867D+00 -0.758587D+00
      3   0.539719D+01 -0.909401D+01  0.356217D+01  0.256213D+00  0.654029D+01
               131           132           133           134           135 
      1  -0.806573D-01 -0.306725D+01 -0.142322D+00  0.197061D+01 -0.189108D+00
      2   0.114186D+01 -0.121377D+01 -0.168673D+01  0.448309D+00 -0.295499D+00
      3  -0.508897D+01 -0.124884D+01 -0.261894D+00 -0.102217D+01 -0.183873D+00
               136           137           138           139           140 
      1  -0.169916D+00  0.751643D-01 -0.163102D+01 -0.168053D+00  0.470192D+00
      2   0.245653D+00  0.593383D+00  0.161252D+01  0.550103D+00  0.286133D+01
      3  -0.768942D+00 -0.267104D+01 -0.452722D+00 -0.139524D+01 -0.135913D+02
               141           142           143           144           145 
      1  -0.429509D+01  0.571874D+00  0.199069D+01 -0.574952D+00 -0.109422D+00
      2   0.310571D+01 -0.591166D+00  0.151229D-01  0.661063D+00  0.117769D+01
      3  -0.263091D+01 -0.338859D+00 -0.313365D+01 -0.594842D+00 -0.706767D+00
               146           147           148           149           150 
      1   0.366405D+00 -0.571247D+00  0.551341D-01  0.430937D-01 -0.477936D+00
      2   0.182577D-01  0.594341D+01  0.156713D+01  0.352919D+00  0.817574D+00
      3  -0.527853D+01  0.161383D-01 -0.390686D+01 -0.131234D+01 -0.406607D+00
               151           152           153           154           155 
      1   0.394010D+00  0.520535D+00 -0.387412D-01  0.157295D+00 -0.531901D+00
      2  -0.295000D+01 -0.191248D+00  0.375277D+00  0.145060D-01  0.658289D-01
      3  -0.118007D+01 -0.707866D+00 -0.204312D-02  0.145984D+01 -0.489490D+01
               156           157           158           159           160 
      1   0.217706D+01  0.288083D+00  0.151890D+00 -0.330506D+01 -0.880514D+00
      2   0.274557D+01  0.830622D+00 -0.153908D+01 -0.319169D+01 -0.801722D+00
      3  -0.233998D+00 -0.343742D+01  0.109879D+02  0.142129D+01 -0.101437D+01
               161           162           163           164           165 
      1   0.165416D+01 -0.324144D+00  0.122801D+00  0.215582D+00 -0.140456D+01
      2   0.537556D+00 -0.389592D+00 -0.153160D+01 -0.106605D+01  0.239009D+00
      3   0.218038D+01  0.167090D+00  0.610104D+01  0.354599D+01  0.115808D+01
               166           167           168           169           170 
      1   0.886096D-01  0.659421D+00 -0.401854D+01  0.532087D+00  0.227236D+01
      2  -0.147721D+01 -0.214091D+01  0.276979D+00 -0.194749D+01 -0.525003D+00
      3   0.691106D+01  0.852327D+01  0.236543D+01  0.232027D+01  0.202149D+01
               171 
      1  -0.543898D+00
      2   0.121422D+00
      3   0.362787D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.277995D+02 -0.184376D+01 -0.214095D+01 -0.934635D+01  0.323052D+01
      2  -0.162233D+02 -0.175173D+01 -0.665983D+01  0.389876D+01  0.806956D+01
      3  -0.115762D+02  0.359550D+01  0.880078D+01  0.544759D+01 -0.113001D+02
      4  -0.156160D+02  0.166561D+02 -0.763207D+01  0.204048D+02 -0.113164D+02
      5   0.127795D+02 -0.880862D+01  0.249140D+02 -0.126433D+02  0.945597D+01
      6  -0.527225D+01  0.428342D+01 -0.708837D+01  0.789442D+01 -0.338559D+01
                 6             7             8             9            10 
      1  -0.691534D+01 -0.994943D+00 -0.363254D+01  0.197813D+02  0.528474D+01
      2   0.287929D+01 -0.302716D+01 -0.257420D+01 -0.496814D+01  0.144060D+01
      3   0.403605D+01  0.402210D+01  0.620674D+01 -0.148131D+02 -0.672534D+01
      4   0.941053D+01 -0.656918D+01 -0.507408D+00 -0.487273D+00  0.362278D+01
      5  -0.324567D+01  0.202939D+02  0.934696D+00 -0.757992D+01  0.617067D+01
      6   0.506216D+01 -0.377062D+01  0.135580D+01  0.498142D+01  0.293812D+01
                11            12            13            14            15 
      1   0.173263D+01 -0.311340D+01  0.119048D+02  0.197973D+01  0.781602D+01
      2   0.311139D+00 -0.240386D+01 -0.873315D+01 -0.975852D+01 -0.142650D+02
      3  -0.204377D+01  0.551726D+01 -0.317168D+01  0.777879D+01  0.644902D+01
      4  -0.122587D+02  0.498881D+01 -0.181213D+02 -0.174935D+02 -0.214225D+02
      5   0.516747D+01 -0.188324D+02  0.150262D+02 -0.201238D+02 -0.213291D+01
      6  -0.362979D+00 -0.149018D+00 -0.871774D+01 -0.105738D+02 -0.613982D+01
                16            17            18            19            20 
      1   0.702986D+01  0.786861D+01 -0.905049D+01 -0.268913D+01 -0.366780D+01
      2  -0.123418D+02 -0.629530D+01  0.942608D+01  0.543457D+00  0.296495D+00
      3   0.531192D+01 -0.157330D+01 -0.375596D+00  0.214567D+01  0.337130D+01
      4   0.129783D+02 -0.151930D+02 -0.922967D+01  0.466290D+00 -0.284266D+01
      5  -0.357662D+02 -0.904367D+01  0.768425D+01  0.107966D+01  0.242396D+01
      6  -0.658330D+01 -0.835999D+01  0.148011D+01 -0.399280D+00 -0.262751D+01
                21            22            23            24            25 
      1   0.109592D+02 -0.162131D+01 -0.512352D+01  0.526286D+01  0.693865D+01
      2   0.692238D+00  0.135984D+00  0.198389D+01 -0.116821D+01 -0.309605D+01
      3  -0.116514D+02  0.148532D+01  0.313963D+01 -0.409464D+01 -0.384260D+01
      4   0.161269D+01  0.264940D+01 -0.493388D+01  0.393556D+01 -0.272344D+01
      5  -0.662640D+01 -0.667687D+00  0.387507D+01 -0.613110D+01  0.470197D+01
      6   0.495014D+01  0.457907D-01 -0.441007D+01  0.796799D+01  0.580767D+00
                26            27            28            29            30 
      1   0.670676D+01 -0.220818D+02  0.323257D+01  0.325912D+01  0.264163D+01
      2   0.559132D+00 -0.765677D+01  0.665598D+00 -0.116648D+00 -0.148994D+00
      3  -0.726590D+01  0.297386D+02 -0.389817D+01 -0.314247D+01 -0.249264D+01
      4   0.499832D+01 -0.730332D+01  0.911195D+01  0.110860D+02  0.362625D+01
      5  -0.849602D+01  0.254018D+02  0.371193D+01  0.362044D+01  0.755957D+01
      6   0.736137D+01 -0.134455D+02  0.425138D+01  0.193932D+01  0.161688D+01
                31            32            33            34            35 
      1   0.142968D+01 -0.101142D+02 -0.480533D+01  0.576232D+00 -0.550485D+01
      2   0.289559D+01  0.185036D+02  0.631844D+01  0.120008D+01  0.437400D+01
      3  -0.432527D+01 -0.838937D+01 -0.151311D+01 -0.177631D+01  0.113085D+01
      4   0.140744D+02  0.285322D+02  0.107507D+02  0.501842D+01  0.113957D+02
      5   0.394772D+01  0.104457D+02  0.105603D+02  0.917987D+01  0.880907D+01
      6   0.441666D+01  0.148907D+02  0.980521D+01  0.429876D+01  0.116988D+02
                36            37            38            39            40 
      1  -0.460088D+01 -0.622237D+02 -0.144800D+02  0.966251D+01 -0.134630D+02
      2   0.102858D+01  0.263433D+02  0.852981D+01  0.137935D+00  0.725548D+01
      3   0.357230D+01  0.358804D+02  0.595020D+01 -0.980044D+01  0.620747D+01
      4   0.925635D+01 -0.194056D+02  0.899904D+01 -0.290478D+01  0.747611D+01
      5   0.851345D+01  0.132680D+02 -0.517562D+00  0.153563D+02 -0.314968D+01
      6   0.936116D+01  0.412939D+01 -0.706060D+01  0.355882D+01 -0.263744D+01
                41            42            43            44            45 
      1   0.193505D+02 -0.412439D+01 -0.536354D+01 -0.668548D+01  0.145517D+02
      2  -0.409206D+01  0.102166D+02  0.133274D+02  0.920906D+01 -0.145877D+02
      3  -0.152584D+02 -0.609224D+01 -0.796388D+01 -0.252358D+01  0.359228D-01
      4   0.494920D+01  0.208511D+02 -0.900431D+01  0.159107D+02  0.841552D+01
      5   0.158542D+02  0.549424D+01  0.276784D+02  0.829176D+01 -0.127284D+02
      6   0.201976D+01 -0.136522D+02  0.740391D+01 -0.980441D+01 -0.298833D+01
                46            47            48            49            50 
      1  -0.157159D+02 -0.306643D+01 -0.394670D+01  0.153428D+01 -0.633447D+01
      2   0.191850D+01  0.225991D+01 -0.916835D+00 -0.341880D+01  0.133494D+02
      3   0.137974D+02  0.806521D+00  0.486353D+01  0.188452D+01 -0.701496D+01
      4   0.233416D+01  0.536157D+01 -0.166002D+01 -0.778546D+01 -0.558802D+00
      5  -0.751908D+01 -0.197766D+01  0.370190D+01 -0.435995D+01  0.181827D+01
      6  -0.457590D+01  0.596557D+00  0.552964D+00 -0.272964D+01  0.590181D+01
                51            52            53            54            55 
      1  -0.759896D+00 -0.760311D+01 -0.190627D+01 -0.790630D+01  0.912938D+02
      2   0.674363D+01 -0.750955D+00  0.388081D+01 -0.429437D+01 -0.462209D+02
      3  -0.598373D+01  0.835406D+01 -0.197454D+01  0.122007D+02 -0.450729D+02
      4   0.165843D+01 -0.532183D+01  0.275089D+01  0.178371D+01  0.222826D+02
      5   0.738227D+00  0.710899D+01  0.128474D+01 -0.406106D+00 -0.298796D+02
      6  -0.269099D+01  0.550137D+00  0.733946D+01 -0.314441D+01 -0.451605D+01
                56            57            58            59            60 
      1   0.946329D+01 -0.574020D+01  0.818985D+01  0.602234D+01  0.479756D+00
      2  -0.316033D+01  0.675424D+01 -0.226102D+01 -0.219598D+01 -0.234749D+00
      3  -0.630296D+01 -0.101404D+01 -0.592883D+01 -0.382636D+01 -0.245007D+00
      4   0.132873D+02 -0.228657D+01  0.148937D+02  0.539930D+01 -0.314289D+01
      5  -0.367060D+01  0.144973D+02 -0.318429D+01 -0.411989D+01  0.173231D+01
      6  -0.335389D+01  0.241816D+01 -0.263121D+01 -0.137032D+01  0.315687D+01
                61            62            63            64            65 
      1   0.734709D+01  0.159464D+01  0.480615D+01  0.432282D+01 -0.227290D+01
      2  -0.129628D+01 -0.610982D+00 -0.330638D+01 -0.234918D+01  0.106299D+01
      3  -0.605081D+01 -0.983660D+00 -0.149977D+01 -0.197364D+01  0.120991D+01
      4   0.260322D+01 -0.351776D+00  0.137998D+01 -0.150487D+01 -0.328781D+00
      5   0.786421D+01  0.693980D+00 -0.706006D+00 -0.187164D+01  0.173739D+01
      6   0.121305D+01  0.203487D+01 -0.383260D-01  0.220906D+01  0.171011D+01
                66            67            68            69            70 
      1  -0.506602D+01 -0.596845D+01 -0.861348D+01 -0.559075D+01 -0.332196D+01
      2   0.177534D+00  0.419949D+01  0.137271D+01 -0.531360D+01  0.230585D+01
      3   0.488849D+01  0.176896D+01  0.724077D+01  0.109043D+02  0.101611D+01
      4   0.327975D+00  0.274277D+01 -0.188971D+02 -0.125328D+02  0.136952D+01
      5  -0.760227D+00  0.788212D+01 -0.104292D+02 -0.146343D+02  0.440007D+01
      6   0.915528D-01 -0.707045D+00  0.132016D+02  0.108085D+02 -0.679369D+00
                71            72            73            74            75 
      1  -0.439470D+01 -0.100127D+02  0.149541D+00  0.851387D+01 -0.781278D+01
      2  -0.423511D+01 -0.555173D+01  0.553734D+00 -0.528417D+01  0.156695D+01
      3   0.862981D+01  0.155645D+02 -0.703275D+00 -0.322970D+01  0.624584D+01
      4  -0.105228D+02 -0.822280D+01  0.231911D+01 -0.230907D+01  0.138942D+01
      5  -0.693233D+01 -0.133674D+02 -0.357507D+00 -0.296448D+00 -0.247747D+01
      6   0.998180D+01  0.781847D+01 -0.356610D+01  0.557162D+01 -0.471916D+01
                76            77            78            79            80 
      1   0.834256D+01 -0.179202D+02  0.119978D+02 -0.373393D+01  0.986943D+01
      2  -0.452116D+01  0.141139D+02 -0.445245D+01  0.909309D+00 -0.263559D+01
      3  -0.382141D+01  0.380627D+01 -0.754536D+01  0.282462D+01 -0.723383D+01
      4   0.284012D+01  0.157775D+02 -0.110478D+02 -0.117741D+00 -0.846364D+01
      5  -0.420376D+01 -0.831334D+01  0.848440D+01  0.271103D+01  0.526897D+01
      6   0.104100D+01 -0.174316D+02  0.149289D+02 -0.155362D+01  0.130438D+02
                81            82            83            84            85 
      1  -0.144779D+02  0.133569D+01  0.168973D+02  0.455554D+01 -0.504568D+01
      2   0.695837D+00 -0.167988D+01 -0.117312D+02  0.130012D+01  0.143584D+02
      3   0.137821D+02  0.344183D+00 -0.516617D+01 -0.585566D+01 -0.931269D+01
      4   0.606183D+01  0.965414D+01 -0.142257D+02 -0.793809D+00  0.185297D+01
      5  -0.887317D+01  0.259900D+01 -0.135975D+01 -0.304834D+01  0.295398D+01
      6  -0.121224D+02  0.228931D+01 -0.368471D+00 -0.730613D+01  0.840230D+01
                86            87            88            89            90 
      1   0.255502D+00  0.514462D+01 -0.222638D+01  0.550125D+01 -0.140810D+02
      2  -0.455284D+01 -0.304903D+01  0.789536D+01 -0.702742D+01  0.230956D+01
      3   0.429734D+01 -0.209560D+01 -0.566898D+01  0.152617D+01  0.117715D+02
      4   0.136289D+02  0.298690D+01  0.321687D+01  0.757358D+00  0.337471D+01
      5   0.281661D+01 -0.166976D+01  0.250346D+01  0.229438D+01 -0.120546D+01
      6  -0.550752D+01  0.588461D+01 -0.342804D+01  0.114376D+02 -0.312166D+00
                91            92            93            94            95 
      1   0.762423D+01 -0.214975D+02 -0.241818D+01  0.233478D+02  0.113918D+02
      2  -0.784875D+01  0.137186D+02  0.714082D-01 -0.208796D+02 -0.155797D+02
      3   0.224525D+00  0.777890D+01  0.234677D+01 -0.246827D+01  0.418783D+01
      4  -0.144560D+02 -0.552148D+01 -0.305174D+01  0.117195D+02 -0.373306D+01
      5  -0.519265D+01 -0.178208D+01 -0.282795D+01 -0.173326D+00 -0.728964D+01
      6  -0.419823D+01 -0.229054D+01  0.516571D+01 -0.548019D+01 -0.111479D+02
                96            97            98            99           100 
      1   0.307896D+01  0.472961D+01  0.339036D+00 -0.613693D+01 -0.122365D+02
      2  -0.724336D+01 -0.781802D+01 -0.871791D+01 -0.484586D+01  0.764246D+01
      3   0.416441D+01  0.308841D+01  0.837887D+01  0.109828D+02  0.459402D+01
      4  -0.700914D+01 -0.359675D+01 -0.976745D+01  0.139899D+02 -0.249871D+01
      5   0.123183D+02  0.131526D+02  0.142972D+02  0.941243D+01 -0.443050D+01
      6   0.684801D+01  0.546590D+01  0.145137D+02  0.357847D+01  0.533159D+00
               101           102           103           104           105 
      1  -0.439147D+01 -0.565523D+01  0.100312D+02 -0.202246D+02 -0.720658D+01
      2   0.352883D+01  0.197952D+01 -0.862266D+01  0.180211D+02  0.102043D+02
      3   0.862645D+00  0.367571D+01 -0.140858D+01  0.220356D+01 -0.299768D+01
      4   0.247785D+02  0.993958D-01 -0.202673D+02 -0.326928D+01 -0.336173D+01
      5  -0.213439D+00  0.211846D+02 -0.124979D+02 -0.136221D+01  0.247150D+01
      6   0.413326D+00  0.262735D+01 -0.262005D+01  0.390813D+01 -0.508720D+01
               106           107           108           109           110 
      1  -0.401297D+01 -0.809116D+01  0.144481D+02 -0.204150D+01  0.241042D+02
      2  -0.312215D+00  0.578200D+01 -0.174145D+02 -0.271444D+01 -0.148433D+02
      3   0.432518D+01  0.230916D+01  0.296641D+01  0.475594D+01 -0.926089D+01
      4  -0.130161D+02 -0.121524D+01  0.235388D+01  0.151490D+02  0.281080D+01
      5   0.364194D+02  0.319475D+01  0.577187D+01 -0.335076D+00  0.532492D+00
      6   0.157680D+01  0.649112D+01 -0.426487D+01  0.114585D+00 -0.979208D+00
               111           112           113           114           115 
      1   0.493863D+01 -0.294617D+02  0.335578D+01  0.798307D+00 -0.843140D+01
      2   0.106922D+01  0.281345D+02 -0.735732D+01 -0.142114D+01  0.100592D+02
      3  -0.600785D+01  0.132718D+01  0.400154D+01  0.622834D+00 -0.162781D+01
      4   0.201008D+01  0.732001D+00  0.105955D+02  0.984010D+01 -0.234233D+01
      5   0.572381D+01 -0.534261D+01  0.844489D+01 -0.142460D+02  0.199198D+02
      6  -0.853678D+01  0.735982D+01 -0.645780D+01  0.516299D+01 -0.657329D+01
               116           117           118           119           120 
      1   0.408121D+01  0.193626D+01  0.122380D+02 -0.102011D+02  0.757137D+00
      2  -0.803941D+01 -0.855183D+01 -0.689960D+01  0.742622D+01 -0.170926D+01
      3   0.395820D+01  0.661558D+01 -0.533843D+01  0.277490D+01  0.952124D+00
      4   0.886716D+01 -0.152519D+02 -0.397995D+01 -0.197507D+02 -0.301267D+01
      5  -0.150331D+02 -0.889438D+01  0.175231D+01 -0.218105D+01 -0.633788D+01
      6   0.126640D+02 -0.580776D+00 -0.102505D+01 -0.234323D+01  0.633300D+01
               121           122           123           124           125 
      1   0.163408D+01  0.826119D+01  0.384464D+01  0.191974D+01  0.322831D+01
      2  -0.108070D+02 -0.123370D+02 -0.789388D+01 -0.435529D+01 -0.101495D+02
      3   0.917289D+01  0.407582D+01  0.404924D+01  0.243555D+01  0.692122D+01
      4   0.109366D+02 -0.144488D+02 -0.273818D+01 -0.100752D+01 -0.335585D+01
      5  -0.120489D+01 -0.290214D+01 -0.185007D+00  0.418790D+01 -0.591340D+01
      6  -0.595803D+01 -0.104155D+02  0.432200D+01  0.144771D+01  0.130030D+02
               126           127           128           129           130 
      1  -0.156291D+02 -0.494179D+01  0.746792D+01  0.845373D+00  0.859471D+01
      2  -0.574478D-01  0.681100D+01 -0.108245D+02 -0.113107D+01 -0.116253D+02
      3   0.156865D+02 -0.186921D+01  0.335662D+01  0.285696D+00  0.303058D+01
      4  -0.723766D+01 -0.883181D+01  0.883988D+01  0.103232D+01  0.809725D+01
      5  -0.435031D+01 -0.885762D+00  0.111137D+01  0.195849D+01  0.134542D+01
      6   0.475221D+01  0.890741D+00 -0.133069D+01 -0.212178D+01 -0.240507D+01
               131           132           133           134           135 
      1  -0.209526D+02 -0.345112D+01  0.162932D+01 -0.347222D+01 -0.653783D+00
      2   0.284822D+02  0.283114D+01 -0.209865D+01  0.411405D+01  0.137289D+01
      3  -0.752958D+01  0.619976D+00  0.469323D+00 -0.641829D+00 -0.719103D+00
      4  -0.942855D+01 -0.109283D+01  0.126326D+01 -0.116003D+01 -0.182194D+01
      5  -0.136994D+01 -0.136905D+01  0.831739D+00 -0.549426D+00 -0.817060D+00
      6   0.461208D+01  0.486371D+01 -0.740080D+00  0.189713D+01  0.148147D+01
               136           137           138           139           140 
      1   0.538297D+01  0.480331D+01  0.902876D+00 -0.123514D+01 -0.159178D+02
      2   0.351941D+01  0.527980D+01  0.485309D+00  0.118882D+02  0.380140D+02
      3  -0.890239D+01 -0.100831D+02 -0.138818D+01 -0.106530D+02 -0.220962D+02
      4   0.189513D+02  0.238797D+02  0.510967D+01  0.245585D+02  0.471785D+02
      5   0.433525D+01  0.509501D+01  0.469559D+01  0.532846D+01  0.954121D+01
      6   0.337039D+01  0.400420D+01  0.269829D+01  0.539980D+01  0.130275D+02
               141           142           143           144           145 
      1  -0.352260D+01  0.105293D+00 -0.295632D+01 -0.162219D+01  0.101011D+03
      2   0.559651D+01  0.205872D+01  0.731020D+01  0.274956D+01 -0.568169D+02
      3  -0.207391D+01 -0.216401D+01 -0.435388D+01 -0.112737D+01 -0.441937D+02
      4   0.968910D+01  0.595522D+01  0.111844D+02  0.348689D+01  0.132918D+02
      5   0.571407D+01  0.204877D+01  0.288118D+01  0.206483D+01  0.101175D+02
      6   0.875658D+01  0.216295D+01  0.454238D+01  0.311973D+01 -0.184687D+01
               146           147           148           149           150 
      1   0.896478D+01  0.651507D+01  0.714566D+01  0.983953D+01  0.193083D+01
      2  -0.444589D+01 -0.435693D+01 -0.307894D+01 -0.453369D+01 -0.164007D+01
      3  -0.451889D+01 -0.215815D+01 -0.406673D+01 -0.530585D+01 -0.290761D+00
      4   0.934332D+01  0.783836D+00  0.160544D+02  0.423659D+01  0.144348D+01
      5   0.828301D+00  0.965758D+01  0.379226D+01  0.159097D+01  0.130829D+01
      6   0.299614D+00  0.479450D+00  0.902386D+00 -0.960891D-01  0.171567D+01
               151           152           153           154           155 
      1   0.783980D+01  0.211714D+01  0.296244D+01  0.217959D+02 -0.140746D+02
      2  -0.427067D+01 -0.112949D+01 -0.166590D+01 -0.339248D+01 -0.119068D+01
      3  -0.356913D+01 -0.987652D+00 -0.129653D+01 -0.184035D+02  0.152653D+02
      4   0.420494D+01  0.154735D+01  0.720125D+00 -0.339125D+02  0.312511D+02
      5   0.224244D+01  0.432575D+00  0.128189D+01 -0.577592D+01  0.415318D+01
      6   0.141008D+00  0.552805D+00  0.538995D+00  0.218513D+01 -0.186505D+01
               156           157           158           159           160 
      1  -0.246003D+01 -0.890562D+01  0.340348D+01  0.633907D+00 -0.576106D+00
      2   0.714131D+00 -0.704876D+01  0.174353D+02  0.102016D+01 -0.149384D+01
      3   0.174590D+01  0.159544D+02 -0.208387D+02 -0.165406D+01  0.206994D+01
      4   0.403928D+01  0.344526D+02 -0.449388D+02 -0.711440D+01  0.555619D+01
      5   0.578415D+01  0.614469D+01 -0.736117D+01 -0.533798D+01  0.222082D+01
      6  -0.287765D+01 -0.398537D+01  0.552704D+01  0.573277D+01 -0.162230D+01
               161           162           163           164           165 
      1  -0.112330D+00  0.494374D-01 -0.511904D+01 -0.857759D+01 -0.261977D+01
      2   0.300523D+01  0.103875D+01  0.645599D+01  0.103681D+02  0.197584D+01
      3  -0.289291D+01 -0.108819D+01 -0.133695D+01 -0.179048D+01  0.643927D+00
      4  -0.711957D+01 -0.255105D+01  0.387223D+01  0.758053D+01  0.145134D+01
      5  -0.211305D+01 -0.119074D+01  0.103754D+01  0.126701D+01  0.186863D+01
      6   0.224898D+01  0.170003D+01  0.248848D+01  0.376401D+01  0.230657D+01
               166           167           168           169           170 
      1  -0.767428D+01 -0.329809D+02 -0.803130D+01 -0.225360D+01 -0.797011D+01
      2   0.936336D+01  0.432441D+02  0.771069D+01  0.270263D+01  0.976085D+01
      3  -0.168908D+01 -0.102632D+02  0.320619D+00 -0.449026D+00 -0.179075D+01
      4   0.506610D+01 -0.429450D+00 -0.500165D+00  0.153330D+01  0.244827D+00
      5   0.100659D+01 -0.571561D+00  0.130093D+00  0.677958D+00  0.547774D+00
      6   0.301312D+01  0.128370D+02  0.854550D+01  0.959636D+00  0.463480D+01
               171 
      1  -0.294308D+01
      2   0.361848D+01
      3  -0.675398D+00
      4   0.128272D+01
      5   0.591887D+00
      6   0.321415D+01
 Leave Link  716 at Thu Aug 12 20:13:41 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132377D+03  0.850024D+00  0.603501D+00
      2   0.850024D+00  0.106637D+03  0.512941D+01
      3   0.603501D+00  0.512941D+01  0.759913D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.140532D+01  0.620257D+01  0.459964D+01
      2   0.254645D+01  0.133943D+02 -0.562178D+01
      3  -0.864417D+01 -0.435529D+02 -0.133018D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.986966D+02  0.437572D+01  0.650105D+01
      2  -0.337231D+02 -0.128101D+02 -0.160031D+02
      3  -0.649734D+02  0.843441D+01  0.950206D+01
      4  -0.143824D+02  0.859972D+02  0.308797D+02
      5   0.332649D+02  0.319955D+02 -0.187382D+02
      6   0.125057D+02  0.943448D+01 -0.645819D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.643628D+01  0.219788D+01 -0.143337D+01  0.418939D+01 -0.242886D+01
      2   0.219788D+01 -0.111191D+01  0.197933D+01 -0.242886D+01  0.963626D+00
      3  -0.143337D+01  0.197933D+01 -0.353244D+01  0.159594D+01 -0.137123D+01
                 6             7             8             9            10 
      1   0.159594D+01  0.745083D+00  0.103007D+01 -0.265955D+01  0.670058D+01
      2  -0.137123D+01  0.103007D+01  0.140634D+01 -0.911552D+00  0.356351D+00
      3  -0.585763D+00 -0.265955D+01 -0.911552D+00  0.447630D+01 -0.120437D+01
                11            12            13            14            15 
      1   0.356351D+00 -0.120437D+01 -0.284070D+00  0.320017D+01 -0.195621D+01
      2   0.481095D+00 -0.150830D+01  0.320017D+01  0.465958D+01  0.429182D+01
      3  -0.150830D+01  0.245186D+01 -0.195621D+01  0.429182D+01  0.126766D+01
                16            17            18            19            20 
      1  -0.528650D+01 -0.161178D+01  0.540227D+01  0.115898D+01  0.484426D-01
      2  -0.161178D+01  0.254897D+01  0.215055D+01  0.484426D-01  0.593394D+00
      3   0.540227D+01  0.215055D+01 -0.211220D+01 -0.442253D+00 -0.108221D+01
                21            22            23            24            25 
      1  -0.442253D+00  0.223321D+00 -0.295640D+00 -0.976132D-01 -0.196118D+01
      2  -0.108221D+01 -0.295640D+00  0.146042D+01 -0.132830D+01  0.115991D+00
      3   0.270046D+01 -0.976132D-01 -0.132830D+01  0.168876D+01 -0.726171D-01
                26            27            28            29            30 
      1   0.115991D+00 -0.726171D-01 -0.707074D+00 -0.147141D+01 -0.525496D+00
      2  -0.191610D+01  0.237975D+01 -0.147141D+01 -0.109628D+01 -0.387502D+00
      3   0.237975D+01 -0.785949D+01 -0.525496D+00 -0.387502D+00 -0.903977D+00
                31            32            33            34            35 
      1  -0.319400D+01 -0.223806D+01 -0.583842D+00 -0.556094D+00 -0.747021D+00
      2  -0.223806D+01 -0.629398D+01 -0.238992D+01 -0.747021D+00 -0.258179D+01
      3  -0.583842D+00 -0.238992D+01 -0.229390D+01 -0.136123D+01 -0.210510D+01
                36            37            38            39            40 
      1  -0.136123D+01  0.100245D+02  0.179518D+01  0.755944D-01  0.149037D+01
      2  -0.210510D+01  0.179518D+01 -0.191331D+01  0.102067D+01 -0.165658D+01
      3  -0.206330D+01  0.755944D-01  0.102067D+01 -0.314248D+01  0.138328D+01
                41            42            43            44            45 
      1  -0.165658D+01  0.138328D+01  0.681894D+01  0.168922D+01 -0.447157D+01
      2  -0.316737D+00 -0.469300D+01  0.168922D+01 -0.315848D+01 -0.124184D+01
      3  -0.469300D+01 -0.620281D+00 -0.447157D+01 -0.124184D+01  0.140163D+01
                46            47            48            49            50 
      1  -0.202607D+02 -0.205424D+01 -0.750166D-01 -0.359945D+01  0.145428D+01
      2  -0.205424D+01 -0.260112D+01  0.438815D+00  0.145428D+01 -0.624600D+00
      3  -0.750166D-01  0.438815D+00 -0.274244D+01  0.116150D+01 -0.192609D+00
                51            52            53            54            55 
      1   0.116150D+01 -0.723639D+00  0.126324D+01 -0.439398D+01 -0.151965D+02
      2  -0.192609D+00  0.126324D+01 -0.563246D+00 -0.615845D+00 -0.189927D+01
      3  -0.872870D-01 -0.439398D+01 -0.615845D+00 -0.760686D+00  0.186616D+01
                56            57            58            59            60 
      1  -0.189927D+01  0.186616D+01 -0.188293D+01 -0.156037D+01  0.221389D+00
      2  -0.116247D+01  0.234691D+00 -0.156037D+01 -0.607409D+00  0.597857D+00
      3   0.234691D+00 -0.150766D+01  0.221389D+00  0.597857D+00 -0.241067D+00
                61            62            63            64            65 
      1  -0.170831D+01 -0.319587D+00 -0.687122D+00 -0.334324D+00  0.615490D+00
      2  -0.319587D+00  0.224061D-01 -0.781139D-01  0.615490D+00  0.389295D+00
      3  -0.687122D+00 -0.781139D-01 -0.173693D+00  0.212458D+00  0.701354D-01
                66            67            68            69            70 
      1   0.212458D+00  0.190382D+01 -0.143341D+00 -0.850878D+00  0.666477D+00
      2   0.701354D-01 -0.143341D+00  0.371869D+01  0.251599D+01 -0.274710D+00
      3   0.895195D+00 -0.850878D+00  0.251599D+01  0.324814D+01 -0.136335D+00
                71            72            73            74            75 
      1  -0.274710D+00 -0.136335D+00 -0.162660D+00 -0.962758D+00  0.553611D+00
      2   0.206522D+01  0.162003D+01 -0.962758D+00  0.124336D+01 -0.870640D+00
      3   0.162003D+01  0.334379D+01  0.553611D+00 -0.870640D+00  0.156944D+01
                76            77            78            79            80 
      1  -0.142368D+01  0.274252D+00 -0.765175D-01  0.358050D+00 -0.281987D+00
      2   0.274252D+00 -0.414453D+01  0.277502D+01 -0.281987D+00  0.209278D+01
      3  -0.765175D-01  0.277502D+01 -0.261296D+01  0.309582D+00 -0.178430D+01
                81            82            83            84            85 
      1   0.309582D+00  0.486638D+01 -0.748137D+00  0.404376D+00  0.945921D+01
      2  -0.178430D+01 -0.748137D+00 -0.395116D+01 -0.711372D+00  0.995389D-01
      3   0.297919D+01  0.404376D+00 -0.711372D+00 -0.204771D+01  0.557513D+00
                86            87            88            89            90 
      1   0.995389D-01  0.557513D+00  0.299924D+01 -0.195672D+00 -0.176003D+01
      2   0.162590D+01 -0.963107D+00 -0.195672D+00 -0.163050D+01  0.314125D+01
      3  -0.963107D+00  0.194679D+01 -0.176003D+01  0.314125D+01  0.125740D+01
                91            92            93            94            95 
      1  -0.528421D+01 -0.844027D+00 -0.351875D+00  0.583355D+01  0.345989D+00
      2  -0.844027D+00  0.288868D+01 -0.214806D+00  0.345989D+00  0.127102D+01
      3  -0.351875D+00 -0.214806D+00  0.992311D+00 -0.318564D+00 -0.119440D+01
                96            97            98            99           100 
      1  -0.318564D+00  0.626127D+00 -0.746246D+00  0.200056D+01  0.672417D+01
      2  -0.119440D+01 -0.746246D+00 -0.127852D+01  0.391532D+01  0.483180D+00
      3   0.234807D+01  0.200056D+01  0.391532D+01  0.262500D+01 -0.412374D+00
               101           102           103           104           105 
      1   0.483180D+00 -0.412374D+00  0.120285D+01 -0.770448D+00 -0.129089D+01
      2   0.356097D+01  0.407690D-01 -0.770448D+00  0.193721D+00 -0.583527D+00
      3   0.407690D-01  0.331066D+01 -0.129089D+01 -0.583527D+00  0.257931D+00
               106           107           108           109           110 
      1  -0.300150D-01 -0.131768D+01  0.556094D+01 -0.363579D+01 -0.751040D+00
      2  -0.131768D+01  0.855970D-01  0.485443D+00 -0.751040D+00  0.322300D+01
      3   0.556094D+01  0.485443D+00  0.114530D+01 -0.586409D+00  0.875404D+00
               111           112           113           114           115 
      1  -0.586409D+00 -0.676385D+01 -0.867438D+00 -0.103105D+01 -0.198225D+01
      2   0.875404D+00 -0.867438D+00 -0.899272D+00  0.137149D+01 -0.642352D+00
      3   0.191876D+01 -0.103105D+01  0.137149D+01 -0.227157D+01  0.299280D+01
               116           117           118           119           120 
      1  -0.642352D+00  0.299280D+01  0.677520D+01  0.270699D+01  0.110169D+01
      2   0.185098D+01 -0.330460D+01  0.270699D+01 -0.289597D+01 -0.213036D+00
      3  -0.330460D+01 -0.160468D+01  0.110169D+01 -0.213036D+00 -0.107546D+01
               121           122           123           124           125 
      1  -0.770568D+01 -0.564599D+00  0.161967D+00 -0.863384D+00  0.106792D+01
      2  -0.564599D+00 -0.187313D+01  0.118513D+01  0.106792D+01  0.114572D+01
      3   0.161967D+00  0.118513D+01 -0.211935D+01 -0.104935D+01 -0.355851D+01
               126           127           128           129           130 
      1  -0.104935D+01 -0.327260D+01  0.232792D+01  0.233782D+00  0.239858D+01
      2  -0.355851D+01  0.232792D+01 -0.278654D+01 -0.316706D+00 -0.290621D+01
      3  -0.279531D+01  0.233782D+00 -0.316706D+00 -0.382738D+00 -0.536123D+00
               131           132           133           134           135 
      1  -0.290621D+01 -0.536123D+00  0.208644D+00 -0.463262D+00 -0.116051D-01
      2   0.593798D+01  0.833226D+00 -0.463262D+00  0.103613D+01  0.188006D+00
      3   0.833226D+00  0.729474D+00 -0.116051D-01  0.188006D+00  0.194720D+00
               136           137           138           139           140 
      1   0.229176D+01  0.266907D+01  0.654087D+00  0.232042D+01  0.387365D+01
      2   0.266907D+01  0.290797D+01  0.682905D+00  0.387365D+01  0.946657D+01
      3   0.654087D+00  0.682905D+00  0.453028D+00  0.886068D+00  0.201488D+01
               141           142           143           144           145 
      1   0.886068D+00  0.712474D+00  0.100672D+01  0.236615D+00  0.132936D+02
      2   0.201488D+01  0.100672D+01  0.215461D+01  0.431513D+00  0.127032D+01
      3   0.117506D+01  0.236615D+00  0.431513D+00  0.250285D+00  0.100888D+01
               146           147           148           149           150 
      1   0.127032D+01  0.100888D+01  0.116514D+01  0.168847D+01  0.447162D+00
      2   0.823818D+00  0.954776D-01  0.168847D+01  0.463866D+00  0.157007D+00
      3   0.954776D-01  0.818276D+00  0.447162D+00  0.157007D+00  0.134997D+00
               151           152           153           154           155 
      1   0.105301D+01  0.424250D+00  0.120050D-01  0.500797D+01 -0.397266D+01
      2   0.424250D+00  0.107625D+00  0.170900D-01 -0.397266D+01  0.362391D+01
      3   0.120050D-01  0.170900D-01  0.129639D+00 -0.593002D+00  0.465615D+00
               156           157           158           159           160 
      1  -0.593002D+00 -0.378916D+01  0.456565D+01  0.827564D+00 -0.596495D+00
      2   0.465615D+00  0.456565D+01 -0.666357D+01 -0.109124D+01  0.702070D+00
      3   0.534379D+00  0.827564D+00 -0.109124D+01 -0.800091D+00  0.159812D+00
               161           162           163           164           165 
      1   0.702070D+00  0.159812D+00 -0.155305D+01 -0.176727D+01 -0.486464D+00
      2  -0.130507D+01 -0.175495D+00 -0.176727D+01 -0.221674D+01 -0.599224D+00
      3  -0.175495D+00 -0.141185D+00 -0.486464D+00 -0.599224D+00 -0.309463D+00
               166           167           168           169           170 
      1  -0.154382D+01 -0.207045D+01 -0.500698D+00 -0.480180D+00 -0.699186D+00
      2  -0.207045D+01 -0.833815D+01 -0.193508D+01 -0.699186D+00 -0.208266D+01
      3  -0.500698D+00 -0.193508D+01 -0.116462D+01 -0.711866D-01 -0.553594D+00
               171 
      1  -0.711866D-01
      2  -0.553594D+00
      3  -0.292725D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.584687D+00  0.305356D+01  0.291108D+01  0.147068D+00 -0.345608D+01
      2  -0.430101D+01 -0.407184D+01  0.140148D+02 -0.427388D+00  0.644842D+00
      3   0.415233D+01 -0.105263D+02  0.584414D+01 -0.291483D+01  0.487783D+01
                 6             7             8             9            10 
      1  -0.247260D+01 -0.157626D+01  0.456036D+01 -0.589608D+01 -0.137112D+01
      2   0.200391D+01  0.615466D+01  0.451976D+01 -0.119540D+02  0.451857D+01
      3  -0.273482D+01  0.316248D+01  0.144462D+01 -0.471260D+01 -0.299025D+01
                11            12            13            14            15 
      1  -0.343882D+00 -0.843471D-01  0.210678D+01  0.376480D+01 -0.327490D+00
      2   0.218004D+01 -0.406375D+01  0.580105D+00 -0.843446D+01 -0.284956D+01
      3   0.136745D+01 -0.761854D+00  0.129470D+02  0.598193D+01  0.102807D+02
                16            17            18            19            20 
      1   0.424875D+01  0.283855D+01 -0.689561D+00 -0.240703D+00 -0.460831D+00
      2  -0.173553D+02 -0.573660D+01  0.362859D+01  0.558004D+01  0.226558D+01
      3   0.385684D+00  0.971670D+01  0.152061D+01  0.224767D+01  0.225092D+01
                21            22            23            24            25 
      1  -0.227079D+01 -0.232910D+00 -0.115453D+00 -0.144078D+01 -0.441411D+00
      2  -0.660395D+01  0.405427D+00  0.269337D+01 -0.436151D+01 -0.545916D+01
      3  -0.316981D+01  0.169770D+01  0.299673D+01 -0.275939D+01 -0.122475D+01
                26            27            28            29            30 
      1   0.100857D+01  0.513430D+01 -0.587652D+00 -0.217330D+00 -0.113786D+01
      2  -0.607777D+01  0.178396D+02  0.932571D+00  0.486391D+00  0.264916D+01
      3  -0.383558D+01  0.850750D+01 -0.337709D+01 -0.277176D+01 -0.597801D+00
                31            32            33            34            35 
      1  -0.516570D+00  0.597238D+00 -0.372213D+01 -0.898820D+00  0.578807D+00
      2  -0.186826D+00  0.421475D+01  0.469729D+01  0.718962D+00  0.295531D+01
      3   0.122473D+01 -0.123598D+02 -0.491526D+01  0.193521D+00 -0.503656D+01
                36            37            38            39            40 
      1  -0.230986D+01  0.307838D+01 -0.347618D+01 -0.354117D+00 -0.471676D-01
      2   0.351652D+01 -0.136898D+02 -0.497245D+01  0.121103D+02 -0.386494D+01
      3  -0.306231D+01  0.124207D+01 -0.100065D+02  0.174022D+01 -0.230908D+01
                41            42            43            44            45 
      1  -0.255131D+01 -0.106996D+02 -0.224903D+01 -0.504764D+01 -0.154386D+00
      2   0.149862D+02  0.592005D+00  0.728765D+01  0.260087D+01  0.972693D+00
      3   0.154915D-01 -0.155926D+02 -0.570466D+00 -0.136219D+02 -0.178974D+00
                46            47            48            49            50 
      1  -0.887600D+00 -0.284730D-01  0.104470D+00 -0.112190D+01 -0.387749D+01
      2  -0.443985D+01 -0.889103D+00 -0.100056D+01 -0.159732D+01  0.835456D+00
      3   0.145530D+01  0.655247D+01  0.127800D+01  0.195508D+02  0.174761D+01
                51            52            53            54            55 
      1   0.136063D+01 -0.666132D+00  0.107087D+02  0.267533D+01 -0.103054D+01
      2   0.474243D+00 -0.158462D+02  0.706557D+00 -0.764696D+00  0.104715D+02
      3  -0.142973D+01  0.176175D+00 -0.810331D+00  0.627939D-01  0.278569D+01
                56            57            58            59            60 
      1  -0.195018D+01 -0.122751D+01 -0.167569D+01 -0.193572D+00 -0.163723D+00
      2   0.131444D+01  0.633939D+01  0.144645D+01 -0.442906D+00  0.954588D+00
      3  -0.581849D+01 -0.232849D+00 -0.223791D+01 -0.103063D+01  0.168380D+01
                61            62            63            64            65 
      1  -0.537780D+00  0.979832D+00 -0.229761D+00  0.168506D+01  0.136885D+01
      2   0.143968D+01  0.185537D+00  0.108009D+01 -0.158317D+01 -0.126207D+01
      3  -0.164746D+00  0.136790D+01  0.361095D+00  0.280607D+01  0.119666D+01
                66            67            68            69            70 
      1   0.177977D+00  0.513727D+00  0.810387D+01  0.330187D+01 -0.231059D+00
      2  -0.210877D+01 -0.163040D+01 -0.743429D+01 -0.771465D+01 -0.204277D+01
      3   0.240981D+00  0.208395D+01  0.109902D+02  0.730454D+01 -0.400385D+00
                71            72            73            74            75 
      1   0.568676D+01  0.376064D+01 -0.139777D+01  0.208289D+01  0.443257D+00
      2  -0.432919D+01 -0.798728D+01 -0.295369D+01  0.307973D+01 -0.348926D+01
      3   0.607393D+01  0.465080D+01 -0.366630D+01  0.376862D+01 -0.225163D+01
                76            77            78            79            80 
      1   0.103032D+01 -0.478884D+01  0.394268D+00  0.290770D+00  0.364522D+01
      2   0.317176D+01 -0.797207D+01  0.652137D+01 -0.325170D+01  0.486516D+01
      3   0.427043D+01 -0.105184D+02  0.716901D+01 -0.109691D+01  0.566746D+01
                81            82            83            84            85 
      1  -0.352701D+00 -0.282134D+00 -0.616608D+00  0.368553D+01 -0.104525D+01
      2  -0.735707D+01  0.218159D+01  0.340065D+00 -0.164843D+01  0.420771D+01
      3  -0.509955D+01 -0.135836D+01  0.123213D+01  0.812848D+00  0.134766D+01
                86            87            88            89            90 
      1   0.452217D+00 -0.246733D+01  0.753868D+01  0.308662D+01  0.658418D+00
      2   0.643053D+00  0.625407D+00 -0.122735D+02 -0.104647D+00  0.339135D+00
      3  -0.725728D+01  0.786206D+00 -0.179036D+01  0.276148D+00 -0.615448D+01
                91            92            93            94            95 
      1  -0.557600D-01  0.128041D+01 -0.266638D+01  0.157837D+01  0.111399D+00
      2  -0.762623D+00  0.252075D+01  0.181182D+00  0.121568D+01 -0.329641D+01
      3   0.406170D+01 -0.135985D+02 -0.234664D+01  0.309334D+01 -0.929840D+00
                96            97            98            99           100 
      1  -0.388825D+01 -0.513000D+01  0.854862D+00 -0.132998D+01  0.357798D+00
      2   0.604745D+01 -0.850536D+01  0.914282D+01  0.426098D+01  0.252524D+00
      3   0.191037D+01 -0.371310D+00  0.246787D+01 -0.464952D+01 -0.293937D+01
               101           102           103           104           105 
      1  -0.583220D+00 -0.121420D+01 -0.126104D+01 -0.274286D+01  0.270710D+01
      2  -0.528036D+00  0.910020D+01 -0.501165D+01 -0.126372D+00  0.121328D+01
      3  -0.752860D+01  0.348068D+00  0.125575D+02 -0.184251D+01  0.148410D+01
               106           107           108           109           110 
      1  -0.222021D+01  0.114741D+02  0.289715D+01 -0.365875D+00 -0.107255D+01
      2   0.844779D+01  0.222663D+01  0.258856D+01 -0.937920D+00  0.186157D+01
      3   0.401800D+01  0.100298D+01 -0.721166D+00  0.370864D+01 -0.113416D+02
               111           112           113           114           115 
      1   0.360425D+01 -0.143385D+01 -0.170839D+00 -0.232960D+01  0.713175D+01
      2   0.280255D+01 -0.741184D+00  0.370423D+01 -0.681098D+01 -0.399302D+01
      3  -0.196351D+01  0.750501D+01  0.152847D+01 -0.239037D+01 -0.751491D-01
               116           117           118           119           120 
      1   0.349507D+01  0.125117D+01  0.270969D+00  0.139986D+01 -0.273607D+01
      2  -0.102506D+02 -0.429311D+01  0.346640D+01  0.136613D+01 -0.160337D+01
      3  -0.356049D+01  0.432949D+01 -0.554259D+01 -0.235818D+01 -0.225337D+01
               121           122           123           124           125 
      1   0.118413D+01  0.105782D+01 -0.308538D+01 -0.531105D+01  0.103992D+01
      2   0.172051D+01 -0.691550D+00 -0.118764D+01 -0.135353D+02 -0.141712D+01
      3   0.266251D+01  0.671018D+01  0.598787D-02 -0.176686D+01 -0.490963D+00
               126           127           128           129           130 
      1  -0.117434D+01  0.241502D+00 -0.561560D+00  0.219448D+01  0.208833D+00
      2  -0.264551D+01  0.166006D+01 -0.737448D+00  0.776867D+00 -0.758587D+00
      3   0.539719D+01 -0.909401D+01  0.356217D+01  0.256213D+00  0.654029D+01
               131           132           133           134           135 
      1  -0.806573D-01 -0.306725D+01 -0.142322D+00  0.197061D+01 -0.189108D+00
      2   0.114186D+01 -0.121377D+01 -0.168673D+01  0.448309D+00 -0.295499D+00
      3  -0.508897D+01 -0.124884D+01 -0.261894D+00 -0.102217D+01 -0.183873D+00
               136           137           138           139           140 
      1  -0.169916D+00  0.751643D-01 -0.163102D+01 -0.168053D+00  0.470192D+00
      2   0.245653D+00  0.593383D+00  0.161252D+01  0.550103D+00  0.286133D+01
      3  -0.768942D+00 -0.267104D+01 -0.452722D+00 -0.139524D+01 -0.135913D+02
               141           142           143           144           145 
      1  -0.429509D+01  0.571874D+00  0.199069D+01 -0.574952D+00 -0.109422D+00
      2   0.310571D+01 -0.591166D+00  0.151229D-01  0.661063D+00  0.117769D+01
      3  -0.263091D+01 -0.338859D+00 -0.313365D+01 -0.594842D+00 -0.706767D+00
               146           147           148           149           150 
      1   0.366405D+00 -0.571247D+00  0.551341D-01  0.430937D-01 -0.477936D+00
      2   0.182577D-01  0.594341D+01  0.156713D+01  0.352919D+00  0.817574D+00
      3  -0.527853D+01  0.161383D-01 -0.390686D+01 -0.131234D+01 -0.406607D+00
               151           152           153           154           155 
      1   0.394010D+00  0.520535D+00 -0.387412D-01  0.157295D+00 -0.531901D+00
      2  -0.295000D+01 -0.191248D+00  0.375277D+00  0.145060D-01  0.658289D-01
      3  -0.118007D+01 -0.707866D+00 -0.204312D-02  0.145984D+01 -0.489490D+01
               156           157           158           159           160 
      1   0.217706D+01  0.288083D+00  0.151890D+00 -0.330506D+01 -0.880514D+00
      2   0.274557D+01  0.830622D+00 -0.153908D+01 -0.319169D+01 -0.801722D+00
      3  -0.233998D+00 -0.343742D+01  0.109879D+02  0.142129D+01 -0.101437D+01
               161           162           163           164           165 
      1   0.165416D+01 -0.324144D+00  0.122801D+00  0.215582D+00 -0.140456D+01
      2   0.537556D+00 -0.389592D+00 -0.153160D+01 -0.106605D+01  0.239009D+00
      3   0.218038D+01  0.167090D+00  0.610104D+01  0.354599D+01  0.115808D+01
               166           167           168           169           170 
      1   0.886096D-01  0.659421D+00 -0.401854D+01  0.532087D+00  0.227236D+01
      2  -0.147721D+01 -0.214091D+01  0.276979D+00 -0.194749D+01 -0.525003D+00
      3   0.691106D+01  0.852327D+01  0.236543D+01  0.232027D+01  0.202149D+01
               171 
      1  -0.543898D+00
      2   0.121422D+00
      3   0.362787D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.277995D+02 -0.184376D+01 -0.214095D+01 -0.934635D+01  0.323052D+01
      2  -0.162233D+02 -0.175173D+01 -0.665983D+01  0.389876D+01  0.806956D+01
      3  -0.115762D+02  0.359550D+01  0.880078D+01  0.544759D+01 -0.113001D+02
      4  -0.156160D+02  0.166561D+02 -0.763207D+01  0.204048D+02 -0.113164D+02
      5   0.127795D+02 -0.880862D+01  0.249140D+02 -0.126433D+02  0.945597D+01
      6  -0.527225D+01  0.428342D+01 -0.708837D+01  0.789442D+01 -0.338559D+01
                 6             7             8             9            10 
      1  -0.691534D+01 -0.994943D+00 -0.363254D+01  0.197813D+02  0.528474D+01
      2   0.287929D+01 -0.302716D+01 -0.257420D+01 -0.496814D+01  0.144060D+01
      3   0.403605D+01  0.402210D+01  0.620674D+01 -0.148131D+02 -0.672534D+01
      4   0.941053D+01 -0.656918D+01 -0.507408D+00 -0.487273D+00  0.362278D+01
      5  -0.324567D+01  0.202939D+02  0.934696D+00 -0.757992D+01  0.617067D+01
      6   0.506216D+01 -0.377062D+01  0.135580D+01  0.498142D+01  0.293812D+01
                11            12            13            14            15 
      1   0.173263D+01 -0.311340D+01  0.119048D+02  0.197973D+01  0.781602D+01
      2   0.311139D+00 -0.240386D+01 -0.873315D+01 -0.975852D+01 -0.142650D+02
      3  -0.204377D+01  0.551726D+01 -0.317168D+01  0.777879D+01  0.644902D+01
      4  -0.122587D+02  0.498881D+01 -0.181213D+02 -0.174935D+02 -0.214225D+02
      5   0.516747D+01 -0.188324D+02  0.150262D+02 -0.201238D+02 -0.213291D+01
      6  -0.362979D+00 -0.149018D+00 -0.871774D+01 -0.105738D+02 -0.613982D+01
                16            17            18            19            20 
      1   0.702986D+01  0.786861D+01 -0.905049D+01 -0.268913D+01 -0.366780D+01
      2  -0.123418D+02 -0.629530D+01  0.942608D+01  0.543457D+00  0.296495D+00
      3   0.531192D+01 -0.157330D+01 -0.375596D+00  0.214567D+01  0.337130D+01
      4   0.129783D+02 -0.151930D+02 -0.922967D+01  0.466290D+00 -0.284266D+01
      5  -0.357662D+02 -0.904367D+01  0.768425D+01  0.107966D+01  0.242396D+01
      6  -0.658330D+01 -0.835999D+01  0.148011D+01 -0.399280D+00 -0.262751D+01
                21            22            23            24            25 
      1   0.109592D+02 -0.162131D+01 -0.512352D+01  0.526286D+01  0.693865D+01
      2   0.692238D+00  0.135984D+00  0.198389D+01 -0.116821D+01 -0.309605D+01
      3  -0.116514D+02  0.148532D+01  0.313963D+01 -0.409464D+01 -0.384260D+01
      4   0.161269D+01  0.264940D+01 -0.493388D+01  0.393556D+01 -0.272344D+01
      5  -0.662640D+01 -0.667687D+00  0.387507D+01 -0.613110D+01  0.470197D+01
      6   0.495014D+01  0.457907D-01 -0.441007D+01  0.796799D+01  0.580767D+00
                26            27            28            29            30 
      1   0.670676D+01 -0.220818D+02  0.323257D+01  0.325912D+01  0.264163D+01
      2   0.559132D+00 -0.765677D+01  0.665598D+00 -0.116648D+00 -0.148994D+00
      3  -0.726590D+01  0.297386D+02 -0.389817D+01 -0.314247D+01 -0.249264D+01
      4   0.499832D+01 -0.730332D+01  0.911195D+01  0.110860D+02  0.362625D+01
      5  -0.849602D+01  0.254018D+02  0.371193D+01  0.362044D+01  0.755957D+01
      6   0.736137D+01 -0.134455D+02  0.425138D+01  0.193932D+01  0.161688D+01
                31            32            33            34            35 
      1   0.142968D+01 -0.101142D+02 -0.480533D+01  0.576232D+00 -0.550485D+01
      2   0.289559D+01  0.185036D+02  0.631844D+01  0.120008D+01  0.437400D+01
      3  -0.432527D+01 -0.838937D+01 -0.151311D+01 -0.177631D+01  0.113085D+01
      4   0.140744D+02  0.285322D+02  0.107507D+02  0.501842D+01  0.113957D+02
      5   0.394772D+01  0.104457D+02  0.105603D+02  0.917987D+01  0.880907D+01
      6   0.441666D+01  0.148907D+02  0.980521D+01  0.429876D+01  0.116988D+02
                36            37            38            39            40 
      1  -0.460088D+01 -0.622237D+02 -0.144800D+02  0.966251D+01 -0.134630D+02
      2   0.102858D+01  0.263433D+02  0.852981D+01  0.137935D+00  0.725548D+01
      3   0.357230D+01  0.358804D+02  0.595020D+01 -0.980044D+01  0.620747D+01
      4   0.925635D+01 -0.194056D+02  0.899904D+01 -0.290478D+01  0.747611D+01
      5   0.851345D+01  0.132680D+02 -0.517562D+00  0.153563D+02 -0.314968D+01
      6   0.936116D+01  0.412939D+01 -0.706060D+01  0.355882D+01 -0.263744D+01
                41            42            43            44            45 
      1   0.193505D+02 -0.412439D+01 -0.536354D+01 -0.668548D+01  0.145517D+02
      2  -0.409206D+01  0.102166D+02  0.133274D+02  0.920906D+01 -0.145877D+02
      3  -0.152584D+02 -0.609224D+01 -0.796388D+01 -0.252358D+01  0.359228D-01
      4   0.494920D+01  0.208511D+02 -0.900431D+01  0.159107D+02  0.841552D+01
      5   0.158542D+02  0.549424D+01  0.276784D+02  0.829176D+01 -0.127284D+02
      6   0.201976D+01 -0.136522D+02  0.740391D+01 -0.980441D+01 -0.298833D+01
                46            47            48            49            50 
      1  -0.157159D+02 -0.306643D+01 -0.394670D+01  0.153428D+01 -0.633447D+01
      2   0.191850D+01  0.225991D+01 -0.916835D+00 -0.341880D+01  0.133494D+02
      3   0.137974D+02  0.806521D+00  0.486353D+01  0.188452D+01 -0.701496D+01
      4   0.233416D+01  0.536157D+01 -0.166002D+01 -0.778546D+01 -0.558802D+00
      5  -0.751908D+01 -0.197766D+01  0.370190D+01 -0.435995D+01  0.181827D+01
      6  -0.457590D+01  0.596557D+00  0.552964D+00 -0.272964D+01  0.590181D+01
                51            52            53            54            55 
      1  -0.759896D+00 -0.760311D+01 -0.190627D+01 -0.790630D+01  0.912938D+02
      2   0.674363D+01 -0.750955D+00  0.388081D+01 -0.429437D+01 -0.462209D+02
      3  -0.598373D+01  0.835406D+01 -0.197454D+01  0.122007D+02 -0.450729D+02
      4   0.165843D+01 -0.532183D+01  0.275089D+01  0.178371D+01  0.222826D+02
      5   0.738227D+00  0.710899D+01  0.128474D+01 -0.406106D+00 -0.298796D+02
      6  -0.269099D+01  0.550137D+00  0.733946D+01 -0.314441D+01 -0.451605D+01
                56            57            58            59            60 
      1   0.946329D+01 -0.574020D+01  0.818985D+01  0.602234D+01  0.479756D+00
      2  -0.316033D+01  0.675424D+01 -0.226102D+01 -0.219598D+01 -0.234749D+00
      3  -0.630296D+01 -0.101404D+01 -0.592883D+01 -0.382636D+01 -0.245007D+00
      4   0.132873D+02 -0.228657D+01  0.148937D+02  0.539930D+01 -0.314289D+01
      5  -0.367060D+01  0.144973D+02 -0.318429D+01 -0.411989D+01  0.173231D+01
      6  -0.335389D+01  0.241816D+01 -0.263121D+01 -0.137032D+01  0.315687D+01
                61            62            63            64            65 
      1   0.734709D+01  0.159464D+01  0.480615D+01  0.432282D+01 -0.227290D+01
      2  -0.129628D+01 -0.610982D+00 -0.330638D+01 -0.234918D+01  0.106299D+01
      3  -0.605081D+01 -0.983660D+00 -0.149977D+01 -0.197364D+01  0.120991D+01
      4   0.260322D+01 -0.351776D+00  0.137998D+01 -0.150487D+01 -0.328781D+00
      5   0.786421D+01  0.693980D+00 -0.706006D+00 -0.187164D+01  0.173739D+01
      6   0.121305D+01  0.203487D+01 -0.383260D-01  0.220906D+01  0.171011D+01
                66            67            68            69            70 
      1  -0.506602D+01 -0.596845D+01 -0.861348D+01 -0.559075D+01 -0.332196D+01
      2   0.177534D+00  0.419949D+01  0.137271D+01 -0.531360D+01  0.230585D+01
      3   0.488849D+01  0.176896D+01  0.724077D+01  0.109043D+02  0.101611D+01
      4   0.327975D+00  0.274277D+01 -0.188971D+02 -0.125328D+02  0.136952D+01
      5  -0.760227D+00  0.788212D+01 -0.104292D+02 -0.146343D+02  0.440007D+01
      6   0.915528D-01 -0.707045D+00  0.132016D+02  0.108085D+02 -0.679369D+00
                71            72            73            74            75 
      1  -0.439470D+01 -0.100127D+02  0.149541D+00  0.851387D+01 -0.781278D+01
      2  -0.423511D+01 -0.555173D+01  0.553734D+00 -0.528417D+01  0.156695D+01
      3   0.862981D+01  0.155645D+02 -0.703275D+00 -0.322970D+01  0.624584D+01
      4  -0.105228D+02 -0.822280D+01  0.231911D+01 -0.230907D+01  0.138942D+01
      5  -0.693233D+01 -0.133674D+02 -0.357507D+00 -0.296448D+00 -0.247747D+01
      6   0.998180D+01  0.781847D+01 -0.356610D+01  0.557162D+01 -0.471916D+01
                76            77            78            79            80 
      1   0.834256D+01 -0.179202D+02  0.119978D+02 -0.373393D+01  0.986943D+01
      2  -0.452116D+01  0.141139D+02 -0.445245D+01  0.909309D+00 -0.263559D+01
      3  -0.382141D+01  0.380627D+01 -0.754536D+01  0.282462D+01 -0.723383D+01
      4   0.284012D+01  0.157775D+02 -0.110478D+02 -0.117741D+00 -0.846364D+01
      5  -0.420376D+01 -0.831334D+01  0.848440D+01  0.271103D+01  0.526897D+01
      6   0.104100D+01 -0.174316D+02  0.149289D+02 -0.155362D+01  0.130438D+02
                81            82            83            84            85 
      1  -0.144779D+02  0.133569D+01  0.168973D+02  0.455554D+01 -0.504568D+01
      2   0.695837D+00 -0.167988D+01 -0.117312D+02  0.130012D+01  0.143584D+02
      3   0.137821D+02  0.344183D+00 -0.516617D+01 -0.585566D+01 -0.931269D+01
      4   0.606183D+01  0.965414D+01 -0.142257D+02 -0.793809D+00  0.185297D+01
      5  -0.887317D+01  0.259900D+01 -0.135975D+01 -0.304834D+01  0.295398D+01
      6  -0.121224D+02  0.228931D+01 -0.368471D+00 -0.730613D+01  0.840230D+01
                86            87            88            89            90 
      1   0.255502D+00  0.514462D+01 -0.222638D+01  0.550125D+01 -0.140810D+02
      2  -0.455284D+01 -0.304903D+01  0.789536D+01 -0.702742D+01  0.230956D+01
      3   0.429734D+01 -0.209560D+01 -0.566898D+01  0.152617D+01  0.117715D+02
      4   0.136289D+02  0.298690D+01  0.321687D+01  0.757358D+00  0.337471D+01
      5   0.281661D+01 -0.166976D+01  0.250346D+01  0.229438D+01 -0.120546D+01
      6  -0.550752D+01  0.588461D+01 -0.342804D+01  0.114376D+02 -0.312166D+00
                91            92            93            94            95 
      1   0.762423D+01 -0.214975D+02 -0.241818D+01  0.233478D+02  0.113918D+02
      2  -0.784875D+01  0.137186D+02  0.714082D-01 -0.208796D+02 -0.155797D+02
      3   0.224525D+00  0.777890D+01  0.234677D+01 -0.246827D+01  0.418783D+01
      4  -0.144560D+02 -0.552148D+01 -0.305174D+01  0.117195D+02 -0.373306D+01
      5  -0.519265D+01 -0.178208D+01 -0.282795D+01 -0.173326D+00 -0.728964D+01
      6  -0.419823D+01 -0.229054D+01  0.516571D+01 -0.548019D+01 -0.111479D+02
                96            97            98            99           100 
      1   0.307896D+01  0.472961D+01  0.339036D+00 -0.613693D+01 -0.122365D+02
      2  -0.724336D+01 -0.781802D+01 -0.871791D+01 -0.484586D+01  0.764246D+01
      3   0.416441D+01  0.308841D+01  0.837887D+01  0.109828D+02  0.459402D+01
      4  -0.700914D+01 -0.359675D+01 -0.976745D+01  0.139899D+02 -0.249871D+01
      5   0.123183D+02  0.131526D+02  0.142972D+02  0.941243D+01 -0.443050D+01
      6   0.684801D+01  0.546590D+01  0.145137D+02  0.357847D+01  0.533159D+00
               101           102           103           104           105 
      1  -0.439147D+01 -0.565523D+01  0.100312D+02 -0.202246D+02 -0.720658D+01
      2   0.352883D+01  0.197952D+01 -0.862266D+01  0.180211D+02  0.102043D+02
      3   0.862645D+00  0.367571D+01 -0.140858D+01  0.220356D+01 -0.299768D+01
      4   0.247785D+02  0.993958D-01 -0.202673D+02 -0.326928D+01 -0.336173D+01
      5  -0.213439D+00  0.211846D+02 -0.124979D+02 -0.136221D+01  0.247150D+01
      6   0.413326D+00  0.262735D+01 -0.262005D+01  0.390813D+01 -0.508720D+01
               106           107           108           109           110 
      1  -0.401297D+01 -0.809116D+01  0.144481D+02 -0.204150D+01  0.241042D+02
      2  -0.312215D+00  0.578200D+01 -0.174145D+02 -0.271444D+01 -0.148433D+02
      3   0.432518D+01  0.230916D+01  0.296641D+01  0.475594D+01 -0.926089D+01
      4  -0.130161D+02 -0.121524D+01  0.235388D+01  0.151490D+02  0.281080D+01
      5   0.364194D+02  0.319475D+01  0.577187D+01 -0.335076D+00  0.532492D+00
      6   0.157680D+01  0.649112D+01 -0.426487D+01  0.114585D+00 -0.979208D+00
               111           112           113           114           115 
      1   0.493863D+01 -0.294617D+02  0.335578D+01  0.798307D+00 -0.843140D+01
      2   0.106922D+01  0.281345D+02 -0.735732D+01 -0.142114D+01  0.100592D+02
      3  -0.600785D+01  0.132718D+01  0.400154D+01  0.622834D+00 -0.162781D+01
      4   0.201008D+01  0.732001D+00  0.105955D+02  0.984010D+01 -0.234233D+01
      5   0.572381D+01 -0.534261D+01  0.844489D+01 -0.142460D+02  0.199198D+02
      6  -0.853678D+01  0.735982D+01 -0.645780D+01  0.516299D+01 -0.657329D+01
               116           117           118           119           120 
      1   0.408121D+01  0.193626D+01  0.122380D+02 -0.102011D+02  0.757137D+00
      2  -0.803941D+01 -0.855183D+01 -0.689960D+01  0.742622D+01 -0.170926D+01
      3   0.395820D+01  0.661558D+01 -0.533843D+01  0.277490D+01  0.952124D+00
      4   0.886716D+01 -0.152519D+02 -0.397995D+01 -0.197507D+02 -0.301267D+01
      5  -0.150331D+02 -0.889438D+01  0.175231D+01 -0.218105D+01 -0.633788D+01
      6   0.126640D+02 -0.580776D+00 -0.102505D+01 -0.234323D+01  0.633300D+01
               121           122           123           124           125 
      1   0.163408D+01  0.826119D+01  0.384464D+01  0.191974D+01  0.322831D+01
      2  -0.108070D+02 -0.123370D+02 -0.789388D+01 -0.435529D+01 -0.101495D+02
      3   0.917289D+01  0.407582D+01  0.404924D+01  0.243555D+01  0.692122D+01
      4   0.109366D+02 -0.144488D+02 -0.273818D+01 -0.100752D+01 -0.335585D+01
      5  -0.120489D+01 -0.290214D+01 -0.185007D+00  0.418790D+01 -0.591340D+01
      6  -0.595803D+01 -0.104155D+02  0.432200D+01  0.144771D+01  0.130030D+02
               126           127           128           129           130 
      1  -0.156291D+02 -0.494179D+01  0.746792D+01  0.845373D+00  0.859471D+01
      2  -0.574478D-01  0.681100D+01 -0.108245D+02 -0.113107D+01 -0.116253D+02
      3   0.156865D+02 -0.186921D+01  0.335662D+01  0.285696D+00  0.303058D+01
      4  -0.723766D+01 -0.883181D+01  0.883988D+01  0.103232D+01  0.809725D+01
      5  -0.435031D+01 -0.885762D+00  0.111137D+01  0.195849D+01  0.134542D+01
      6   0.475221D+01  0.890741D+00 -0.133069D+01 -0.212178D+01 -0.240507D+01
               131           132           133           134           135 
      1  -0.209526D+02 -0.345112D+01  0.162932D+01 -0.347222D+01 -0.653783D+00
      2   0.284822D+02  0.283114D+01 -0.209865D+01  0.411405D+01  0.137289D+01
      3  -0.752958D+01  0.619976D+00  0.469323D+00 -0.641829D+00 -0.719103D+00
      4  -0.942855D+01 -0.109283D+01  0.126326D+01 -0.116003D+01 -0.182194D+01
      5  -0.136994D+01 -0.136905D+01  0.831739D+00 -0.549426D+00 -0.817060D+00
      6   0.461208D+01  0.486371D+01 -0.740080D+00  0.189713D+01  0.148147D+01
               136           137           138           139           140 
      1   0.538297D+01  0.480331D+01  0.902876D+00 -0.123514D+01 -0.159178D+02
      2   0.351941D+01  0.527980D+01  0.485309D+00  0.118882D+02  0.380140D+02
      3  -0.890239D+01 -0.100831D+02 -0.138818D+01 -0.106530D+02 -0.220962D+02
      4   0.189513D+02  0.238797D+02  0.510967D+01  0.245585D+02  0.471785D+02
      5   0.433525D+01  0.509501D+01  0.469559D+01  0.532846D+01  0.954121D+01
      6   0.337039D+01  0.400420D+01  0.269829D+01  0.539980D+01  0.130275D+02
               141           142           143           144           145 
      1  -0.352260D+01  0.105293D+00 -0.295632D+01 -0.162219D+01  0.101011D+03
      2   0.559651D+01  0.205872D+01  0.731020D+01  0.274956D+01 -0.568169D+02
      3  -0.207391D+01 -0.216401D+01 -0.435388D+01 -0.112737D+01 -0.441937D+02
      4   0.968910D+01  0.595522D+01  0.111844D+02  0.348689D+01  0.132918D+02
      5   0.571407D+01  0.204877D+01  0.288118D+01  0.206483D+01  0.101175D+02
      6   0.875658D+01  0.216295D+01  0.454238D+01  0.311973D+01 -0.184687D+01
               146           147           148           149           150 
      1   0.896478D+01  0.651507D+01  0.714566D+01  0.983953D+01  0.193083D+01
      2  -0.444589D+01 -0.435693D+01 -0.307894D+01 -0.453369D+01 -0.164007D+01
      3  -0.451889D+01 -0.215815D+01 -0.406673D+01 -0.530585D+01 -0.290761D+00
      4   0.934332D+01  0.783836D+00  0.160544D+02  0.423659D+01  0.144348D+01
      5   0.828301D+00  0.965758D+01  0.379226D+01  0.159097D+01  0.130829D+01
      6   0.299614D+00  0.479450D+00  0.902386D+00 -0.960891D-01  0.171567D+01
               151           152           153           154           155 
      1   0.783980D+01  0.211714D+01  0.296244D+01  0.217959D+02 -0.140746D+02
      2  -0.427067D+01 -0.112949D+01 -0.166590D+01 -0.339248D+01 -0.119068D+01
      3  -0.356913D+01 -0.987652D+00 -0.129653D+01 -0.184035D+02  0.152653D+02
      4   0.420494D+01  0.154735D+01  0.720125D+00 -0.339125D+02  0.312511D+02
      5   0.224244D+01  0.432575D+00  0.128189D+01 -0.577592D+01  0.415318D+01
      6   0.141008D+00  0.552805D+00  0.538995D+00  0.218513D+01 -0.186505D+01
               156           157           158           159           160 
      1  -0.246003D+01 -0.890562D+01  0.340348D+01  0.633907D+00 -0.576106D+00
      2   0.714131D+00 -0.704876D+01  0.174353D+02  0.102016D+01 -0.149384D+01
      3   0.174590D+01  0.159544D+02 -0.208387D+02 -0.165406D+01  0.206994D+01
      4   0.403928D+01  0.344526D+02 -0.449388D+02 -0.711440D+01  0.555619D+01
      5   0.578415D+01  0.614469D+01 -0.736117D+01 -0.533798D+01  0.222082D+01
      6  -0.287765D+01 -0.398537D+01  0.552704D+01  0.573277D+01 -0.162230D+01
               161           162           163           164           165 
      1  -0.112330D+00  0.494374D-01 -0.511904D+01 -0.857759D+01 -0.261977D+01
      2   0.300523D+01  0.103875D+01  0.645599D+01  0.103681D+02  0.197584D+01
      3  -0.289291D+01 -0.108819D+01 -0.133695D+01 -0.179048D+01  0.643927D+00
      4  -0.711957D+01 -0.255105D+01  0.387223D+01  0.758053D+01  0.145134D+01
      5  -0.211305D+01 -0.119074D+01  0.103754D+01  0.126701D+01  0.186863D+01
      6   0.224898D+01  0.170003D+01  0.248848D+01  0.376401D+01  0.230657D+01
               166           167           168           169           170 
      1  -0.767428D+01 -0.329809D+02 -0.803130D+01 -0.225360D+01 -0.797011D+01
      2   0.936336D+01  0.432441D+02  0.771069D+01  0.270263D+01  0.976085D+01
      3  -0.168908D+01 -0.102632D+02  0.320619D+00 -0.449026D+00 -0.179075D+01
      4   0.506610D+01 -0.429450D+00 -0.500165D+00  0.153330D+01  0.244827D+00
      5   0.100659D+01 -0.571561D+00  0.130093D+00  0.677958D+00  0.547774D+00
      6   0.301312D+01  0.128370D+02  0.854550D+01  0.959636D+00  0.463480D+01
               171 
      1  -0.294308D+01
      2   0.361848D+01
      3  -0.675398D+00
      4   0.128272D+01
      5   0.591887D+00
      6   0.321415D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541766D+00      0.137703D+01      0.459328D+01
   x          0.430597D+00      0.109447D+01      0.365076D+01
   y         -0.282856D+00     -0.718948D+00     -0.239815D+01
   z         -0.167596D+00     -0.425986D+00     -0.142094D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.948585D+02      0.140566D+02      0.156401D+02
   aniso      0.463482D+02      0.686809D+01      0.764178D+01
   xx         0.119741D+03      0.177437D+02      0.197426D+02
   yx         0.978013D+00      0.144927D+00      0.161253D+00
   yy         0.974025D+02      0.144336D+02      0.160595D+02
   zx         0.390203D+00      0.578222D-01      0.643358D-01
   zy         0.510433D+01      0.756383D+00      0.841590D+00
   zz         0.674325D+02      0.999246D+01      0.111181D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.105002D+03      0.155597D+02      0.173125D+02
   aniso      0.497266D+02      0.736872D+01      0.819881D+01
   xx         0.132377D+03      0.196163D+02      0.218260D+02
   yx         0.850024D+00      0.125961D+00      0.140150D+00
   yy         0.106637D+03      0.158020D+02      0.175821D+02
   zx         0.603501D+00      0.894297D-01      0.995039D-01
   zy         0.512941D+01      0.760100D+00      0.845725D+00
   zz         0.759913D+02      0.112607D+02      0.125293D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -3.12982941         -0.62820153         -3.65767643
     6         -2.17234194          1.27559950         -1.99743722
     1         -3.87341185         -1.94798094         -2.64643554
     1         -3.75430812          2.21636858         -1.04102173
     6         -0.82607496          3.19883798         -3.65722918
     6         -0.44402530          0.18873548          0.00613316
     1         -2.12656188          3.94558091         -5.07078125
     1          0.76199081          2.30833506         -4.62398569
     1         -0.10870316          4.75625079         -2.51476853
     6          1.28484939         -1.70755937         -0.59546326
     6          2.91321040         -2.65401771          1.23176328
     6          2.84193646         -1.71084278          3.68423608
     6          1.12418060          0.17700041          4.29975684
     6         -0.51064626          1.11312418          2.46900096
     1          1.33080332         -2.44596170         -2.50217498
     1          4.24389039         -4.12896869          0.74204661
     1          4.11085719         -2.45046137          5.10768329
     1          1.04685552          0.91204869          6.20734132
     1         -1.85932682          2.57513253          2.95893918

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541766D+00      0.137703D+01      0.459328D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.541766D+00      0.137703D+01      0.459328D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.948585D+02      0.140566D+02      0.156401D+02
   aniso      0.463482D+02      0.686809D+01      0.764178D+01
   xx         0.876665D+02      0.129908D+02      0.144543D+02
   yx        -0.189601D+02     -0.280960D+01     -0.312610D+01
   yy         0.876181D+02      0.129837D+02      0.144463D+02
   zx         0.141049D+02      0.209014D+01      0.232559D+01
   zy        -0.118088D+01     -0.174988D+00     -0.194700D+00
   zz         0.109291D+03      0.161952D+02      0.180196D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.105002D+03      0.155597D+02      0.173125D+02
   aniso      0.497266D+02      0.736872D+01      0.819881D+01
   xx         0.975315D+02      0.144527D+02      0.160808D+02
   yx        -0.197409D+02     -0.292530D+01     -0.325484D+01
   yy         0.968545D+02      0.143524D+02      0.159691D+02
   zx         0.157606D+02      0.233548D+01      0.259857D+01
   zy        -0.176063D+01     -0.260899D+00     -0.290289D+00
   zz         0.120619D+03      0.178739D+02      0.198874D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-16\Freq\RB3LYP\Gen\C8H10O1\PIERPA\12-Aug-2021\0\\#P B
 3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,
 MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculati
 ons.\\0,1\O,-2.290197,0.748875,-0.891176\C,-1.648974,-0.346953,-0.2342
 59\H,-1.847181,0.89778,-1.734096\H,-1.837741,-1.270698,-0.796269\C,-2.
 300915,-0.468453,1.13504\C,-0.150678,-0.155244,-0.135613\H,-3.376843,-
 0.608909,1.025779\H,-2.123257,0.43811,1.715196\H,-1.885133,-1.316357,1
 .680026\C,0.387808,1.095483,0.166105\C,1.761013,1.260318,0.29037\C,2.6
 14804,0.175587,0.119503\C,2.086637,-1.073581,-0.182153\C,0.71191,-1.23
 4195,-0.311415\H,-0.277717,1.939381,0.293556\H,2.166838,2.236806,0.522
 706\H,3.685054,0.30503,0.215836\H,2.7445,-1.921576,-0.323868\H,0.30341
 9,-2.20834,-0.554934\\Version=ES64L-G16RevA.03\State=1-A\HF=-386.27848
 88\RMSD=7.112e-09\RMSF=9.456e-06\ZeroPoint=0.1609545\Thermal=0.1693136
 \Dipole=0.4305974,-0.2828561,-0.1675958\DipoleDeriv=-0.7210223,0.10377
 41,-0.226966,0.1414821,-0.6303144,0.2260297,-0.2804742,0.2018996,-0.52
 14216,0.6035149,-0.0844119,0.1148161,-0.1307462,0.5480472,-0.1988573,0
 .2325874,-0.162151,0.5210662,0.2984645,-0.0008649,0.1381764,0.0172914,
 0.2448135,-0.0078829,0.1557806,-0.0024072,0.199106,-0.021733,0.0102186
 ,-0.0083815,-0.0324533,-0.1652284,-0.0527038,-0.0097572,-0.0835975,-0.
 0643515,-0.0371591,-0.0218875,0.07232,0.0349417,0.0871121,0.0113428,-0
 .0319123,0.0268437,-0.0496301,0.1104432,0.0386928,-0.0712925,-0.003182
 4,-0.0931657,0.0307125,-0.0645562,0.0063393,-0.1410254,-0.1837512,-0.0
 411913,0.0241973,-0.0315764,0.0771133,-0.0047815,0.0192367,0.0006617,0
 .0428602,0.0569604,-0.0568268,-0.0177637,-0.0185485,-0.0582936,-0.0964
 775,0.0057393,-0.0384799,0.0046716,0.0431172,0.0799428,-0.041766,0.053
 12,-0.0440889,0.0792067,-0.0303177,0.0412156,0.011377,-0.1045306,-0.07
 02375,-0.003146,-0.0773265,-0.0149048,0.0270338,0.008888,0.0192507,-0.
 1161486,0.0029953,0.0567117,0.0253131,0.0462344,0.0991859,0.0500578,0.
 0177537,0.0535446,-0.1186881,0.05038,0.0144015,0.0213011,0.0231563,-0.
 0745926,0.0213966,0.0187617,0.0140679,-0.1342526,0.0139337,-0.072175,-
 0.0133092,-0.0841257,0.0542422,0.0326967,-0.0041665,0.0376461,-0.12064
 35,-0.1104601,0.0449584,0.0290593,0.0504556,0.0577419,0.0392027,0.0036
 884,0.0416523,-0.1143695,0.0435073,0.0725788,0.0112442,0.0672999,0.004
 6476,-0.0230665,0.0162294,-0.0165499,0.1187147,0.0302049,-0.0558177,-0
 .0165519,-0.065177,-0.0703869,-0.0453133,-0.0259383,-0.0447221,0.11913
 53,-0.104623,-0.0198313,-0.0191668,-0.0203518,0.0690285,-0.0153358,-0.
 0177382,-0.0147567,0.1314388,-0.0083116,0.0797177,0.0092625,0.0884726,
 -0.0346975,-0.031182,0.0096326,-0.0335022,0.1250233,0.0380695,-0.07775
 24,-0.0273463,-0.0589662,-0.0562594,-0.0420789,-0.023437,-0.0469548,0.
 1071378\Polar=119.7405725,0.9780134,97.4025097,0.3902033,5.1043267,67.
 4324891\Quadrupole=-1.556693,1.9292254,-0.3725323,1.8510139,0.0925617,
 0.5609345\PG=C01 [X(C8H10O1)]\NImag=0\\0.25261796,-0.07007623,0.232045
 89,-0.17446266,-0.15017118,0.50774586,-0.09931866,0.05923782,-0.023877
 96,0.47267916,0.03880595,-0.15205840,0.05149947,0.02662464,0.54426843,
 0.00181891,0.02794576,-0.10129775,-0.00706156,0.06733659,0.49423967,-0
 .13276718,-0.02487932,0.21978768,0.00549694,0.00640108,-0.02043247,0.1
 2642656,-0.00245634,-0.03517466,0.04856416,-0.01475894,-0.00822577,0.0
 3239115,0.01518451,0.04683049,0.18659022,0.08052328,-0.38427390,0.0105
 3858,0.00044160,-0.01819485,-0.19581727,-0.08280631,0.40149947,0.00189
 002,0.02134611,0.00442436,-0.05951308,-0.03894081,-0.02504570,-0.00007
 898,-0.00081471,0.00065319,0.07023666,0.00724532,-0.03534581,0.0004574
 7,-0.04148216,-0.20502165,-0.10613912,0.00053852,-0.00020484,-0.000791
 52,0.03622989,0.23801032,-0.00063070,0.02181364,0.00986306,-0.02551299
 ,-0.10715628,-0.12001080,0.00029586,0.00012636,0.00138254,0.02589667,0
 .11065839,0.12908536,0.00815888,0.00530067,-0.01651146,-0.09759454,-0.
 00616852,0.05243382,-0.00114229,0.00296874,-0.00292630,0.00278352,-0.0
 0005070,-0.00445173,0.55728913,-0.00986822,-0.01041109,0.03992760,0.00
 036226,-0.07497585,-0.00982974,0.00215626,-0.00477707,0.00485879,0.011
 31537,0.00367531,-0.02553698,-0.00660335,0.57703354,0.00594744,0.01338
 685,-0.02811584,0.03727503,0.00012879,-0.16124186,-0.00168357,0.001711
 20,-0.00137676,0.00972129,0.00031510,-0.01941772,0.04506389,0.00236938
 ,0.48777659,-0.02475093,0.01028772,-0.00876279,-0.17849208,-0.02196708
 ,-0.01036841,0.00168853,0.00069191,0.00032995,-0.01097817,-0.00360544,
 0.00218019,-0.02201389,-0.00504927,0.01099566,0.62548611,0.03819798,-0
 .00469461,0.00870932,-0.02412918,-0.09636292,-0.00754077,0.00058226,0.
 00129165,-0.00173787,-0.02819331,-0.00534510,-0.00195203,-0.00324242,0
 .00107951,0.00014535,-0.01429627,0.65687748,-0.01997314,0.00715428,-0.
 00265088,-0.00203024,-0.00986984,-0.07498211,-0.00141041,-0.00081227,0
 .00106747,-0.01736546,-0.00560561,0.00097919,0.03022581,0.00563194,0.0
 0329424,0.01902408,0.09525531,0.20300330,0.00165260,0.00020466,-0.0009
 3585,-0.01542914,-0.00166617,-0.00215064,0.00025412,0.00004932,-0.0000
 7921,0.00063396,0.00041369,0.00016588,-0.30294995,-0.03444060,-0.02847
 983,-0.00014569,0.00021608,0.00317269,0.33019157,-0.00030781,0.0001201
 4,-0.00006747,-0.00184971,-0.00138646,-0.00014752,0.00018133,-0.000029
 76,-0.00018317,0.00053652,0.00003434,0.00032282,-0.03360472,-0.0526320
 9,-0.00464334,-0.00049673,0.00112335,0.00045696,0.03722842,0.05090942,
 -0.00103584,-0.00130492,0.00220759,0.03305041,0.00484571,0.00132047,-0
 .00004355,-0.00030738,0.00038074,-0.00061794,-0.00017859,0.00155644,-0
 .03132489,-0.00446969,-0.05038589,0.00044408,0.00077125,-0.00518819,0.
 02982283,0.00482011,0.05365140,0.00030593,-0.00039218,-0.00165505,0.00
 094705,0.01367919,0.00881285,-0.00008414,0.00021500,-0.00010931,-0.000
 50058,-0.00044401,0.00314281,-0.05541711,-0.03881813,-0.02398011,0.001
 38869,0.00108811,-0.00016613,-0.00379142,-0.02689042,-0.01647173,0.056
 00314,-0.00026576,0.00151019,-0.00030556,0.00083335,0.00045682,0.00120
 447,-0.00005583,0.00018812,-0.00003986,0.00006392,0.00119815,0.0008651
 3,-0.03715973,-0.23063179,-0.11589354,-0.00014940,0.00047563,0.0001782
 7,-0.00042638,-0.00253715,-0.00083718,0.04152026,0.24861077,-0.0003383
 5,0.00028395,0.00317286,-0.00392619,-0.02795995,-0.02001318,-0.0000414
 0,-0.00004164,0.00063707,0.00285674,0.00127816,-0.00504988,-0.02336444
 ,-0.11358743,-0.11763282,-0.00189514,0.00043199,0.00120329,-0.00058847
 ,-0.00207703,-0.00206609,0.02295050,0.12755182,0.12981212,-0.00056747,
 -0.00101803,0.00371168,0.00401403,-0.01174757,0.00483716,0.00084479,-0
 .00051779,0.00069962,0.00044111,0.00015068,-0.00055589,-0.08676233,0.0
 8107289,-0.05083323,0.00021256,-0.00047658,0.00004699,-0.01007763,0.02
 514212,-0.01544139,0.00139369,-0.00475105,0.00365300,0.09042262,-0.000
 62528,0.00086993,0.00088380,0.00067112,-0.00327190,-0.00091265,0.00037
 580,0.00048830,0.00013696,-0.00029511,0.00051107,0.00039288,0.07887060
 ,-0.20752071,0.10286779,0.00070012,0.00034987,-0.00013711,-0.00154956,
 0.00431543,-0.00351615,0.01020156,-0.01951056,0.01386575,-0.08797394,0
 .22363290,0.00355135,0.00143210,-0.00741301,-0.01364922,0.02278706,-0.
 01015196,-0.00074270,0.00153831,-0.00088132,-0.00053178,-0.00087004,0.
 00074837,-0.04835250,0.10042038,-0.11195572,-0.00081053,-0.00033782,0.
 00033235,-0.00105087,0.00149838,-0.00209720,0.00744333,-0.01312605,0.0
 0968214,0.05377954,-0.11327523,0.12153153,0.00031731,-0.00140010,0.000
 46982,-0.01551914,-0.03110814,-0.00891108,-0.00017351,-0.00015000,-0.0
 0002491,-0.00561382,-0.00101791,-0.00090803,-0.00082721,-0.00097455,-0
 .00244134,-0.15194988,-0.03103073,-0.01024203,0.00013268,-0.00025076,0
 .00062741,0.00026810,0.00015591,0.00004109,0.00016211,-0.00019786,0.00
 044929,0.70170581,0.00019809,-0.00302504,0.00025882,-0.01159145,0.0023
 8795,-0.00203291,-0.00048917,0.00050837,0.00000079,0.00156450,0.000932
 00,-0.00024170,0.00086084,0.00004313,-0.00078588,-0.08816498,-0.274772
 17,-0.04874876,0.00046500,-0.00006613,-0.00005007,0.00004105,0.0000887
 3,-0.00049777,0.00002906,-0.00048199,0.00013138,-0.04569555,0.67133910
 ,-0.00057898,-0.00369384,0.00150923,-0.00524664,0.00056314,0.00069204,
 0.00035908,0.00052773,0.00034786,-0.00024554,-0.00045367,0.00067236,0.
 00061770,-0.00009658,-0.00026404,-0.02274607,-0.04433185,-0.07874109,0
 .00033706,0.00004974,0.00016863,-0.00008994,0.00024721,0.00017457,0.00
 000601,-0.00021966,0.00021258,0.02660501,0.10873483,0.15923092,0.00109
 691,0.00087551,-0.00058771,0.00275451,-0.00271402,-0.00006403,-0.00063
 696,-0.00020907,-0.00050614,0.00001365,0.00045451,0.00062222,0.0005110
 4,0.00068624,0.00070109,-0.01343999,-0.08190586,-0.01946428,-0.0000950
 0,0.00051826,-0.00001885,-0.00046827,0.00019144,0.00049809,-0.00006220
 ,0.00012561,-0.00041511,-0.33152468,0.00864240,-0.01484450,0.67063036,
 0.00095179,0.00162012,0.00049348,0.00019959,-0.00578391,-0.00297604,-0
 .00012848,-0.00011635,-0.00006650,-0.00174227,-0.00033826,-0.00038662,
 0.00054696,-0.00026114,-0.00023363,-0.03683189,0.01905811,0.00180917,0
 .00012013,-0.00009914,-0.00004435,0.00006903,-0.00000342,0.00011079,-0
 .00001345,0.00000539,0.00017529,-0.05458637,-0.12875093,-0.01935023,0.
 01988577,0.70150650,0.00066634,-0.00036416,0.00018564,-0.00022951,-0.0
 0182199,0.00587995,0.00016542,0.00006968,-0.00012154,0.00034875,0.0001
 1177,0.00000573,-0.00113100,-0.00031930,-0.00013369,-0.00918989,-0.002
 98591,0.00509840,-0.00012497,0.00018297,0.00040202,-0.00014352,0.00009
 023,0.00012118,0.00001251,0.00001740,-0.00011718,-0.02924544,-0.014441
 44,-0.06444335,0.04016083,0.12142124,0.15858025,-0.00081147,-0.0000970
 3,-0.00016781,-0.00030844,0.00029359,0.00069653,0.00014906,-0.00011625
 ,0.00023168,0.00004449,0.00004154,0.00007046,-0.00067302,-0.00001826,-
 0.00071630,0.00025690,0.00906906,0.00157395,-0.00013072,-0.00005926,0.
 00027830,0.00008626,0.00008400,-0.00003853,0.00005570,-0.00005150,-0.0
 0002020,-0.04243168,0.02025942,0.00129880,-0.20456532,0.12830230,0.017
 22329,0.73800675,0.00107632,0.00064535,-0.00061926,0.00002997,-0.00260
 970,0.00098336,-0.00046551,-0.00013068,-0.00041434,0.00015635,0.000509
 44,0.00048038,0.00030663,0.00062626,0.00020092,0.00892857,-0.06609838,
 -0.01266681,-0.00003832,0.00046253,0.00003668,-0.00038577,0.00012055,0
 .00047376,0.00000946,0.00013853,-0.00037662,0.06586775,0.04427506,0.01
 314800,0.06506392,-0.24845911,-0.03499472,0.00437525,0.63700602,0.0000
 5304,0.00030789,-0.00025831,0.00000925,-0.00047102,-0.00072663,-0.0001
 5661,-0.00003724,-0.00007971,-0.00009603,0.00010279,0.00018028,0.00014
 640,0.00018455,0.00006525,0.00268605,-0.01221809,-0.00849752,0.0000013
 0,0.00009543,-0.00002585,-0.00006384,0.00001523,0.00005768,-0.00000078
 ,0.00003607,-0.00011564,0.01054242,0.00924608,0.00894629,0.00407288,-0
 .03124948,-0.06536558,0.04119862,0.10809695,0.15324174,-0.00198325,-0.
 00062658,0.00046038,0.00232253,0.00470582,-0.00109592,0.00050829,0.000
 15105,0.00055633,-0.00005499,-0.00074373,-0.00051714,-0.00041828,-0.00
 055095,0.00006374,-0.04182034,0.06683519,0.01124802,-0.00004445,-0.000
 51536,-0.00001673,0.00036829,-0.00014195,-0.00049521,-0.00010261,-0.00
 022187,0.00046944,-0.04249564,-0.03099526,-0.00988810,0.06240067,-0.00
 739002,0.00190952,-0.15863366,-0.03726478,-0.01401141,0.68604084,0.000
 48882,-0.00005216,0.00097085,0.00141137,-0.00303029,-0.00283893,0.0002
 1171,-0.00014246,0.00009152,0.00018898,-0.00004401,0.00021417,-0.00000
 151,-0.00016662,0.00002610,0.02102898,0.04411336,0.00879600,0.00002513
 ,-0.00017259,-0.00008972,0.00016481,0.00000427,-0.00014512,0.00003280,
 -0.00000177,0.00001957,-0.03144233,-0.02438735,-0.00596357,0.03879142,
 -0.05601787,-0.01089887,-0.10039208,-0.29105482,-0.05596227,-0.0446022
 1,0.68723624,0.00179846,-0.00069325,0.00055927,-0.00178359,-0.00235931
 ,0.00665731,0.00015868,0.00004851,-0.00029840,0.00008536,0.00073196,0.
 00000645,-0.00146161,0.00009786,-0.00041468,0.00211765,0.01282313,0.00
 847298,-0.00021019,-0.00017732,0.00036706,0.00010645,-0.00003353,-0.00
 007628,0.00001511,-0.00011653,0.00006418,-0.00935904,-0.00608780,-0.00
 851240,0.01211011,-0.01401675,0.00450332,-0.02782077,-0.05200154,-0.07
 180225,0.02726938,0.11739942,0.15635947,-0.00417624,0.00192526,-0.0017
 6993,-0.02318830,0.02253621,0.00524403,-0.00064601,-0.00018669,-0.0000
 0628,0.00097777,0.00245454,0.00064837,-0.00049356,0.00078368,-0.001276
 03,-0.19785573,0.06068049,0.00438712,-0.00007690,0.00033344,0.00058801
 ,-0.00049679,0.00026103,0.00055802,-0.00002689,-0.00008591,-0.00013850
 ,0.06002426,0.03661727,0.01197369,-0.05844552,0.02411628,0.00207495,-0
 .01380172,-0.08194005,-0.01929505,-0.32726262,0.00954034,-0.01569910,0
 .67693738,-0.00418736,0.00094521,-0.00127711,0.00512688,0.00738600,0.0
 0093803,0.00070410,-0.00005415,0.00048467,-0.00250533,0.00020744,-0.00
 026329,-0.00183223,-0.00092349,0.00062325,0.12215083,-0.24119226,-0.02
 939246,-0.00059511,-0.00018025,0.00014655,0.00028125,-0.00012610,-0.00
 025264,-0.00002648,0.00030297,0.00014988,-0.00634965,-0.05492162,-0.01
 503146,0.02323749,-0.01130092,0.00077285,-0.03559243,0.01905373,0.0004
 2179,-0.05387965,-0.12814758,-0.01836523,0.02117485,0.68674269,-0.0027
 4823,0.00118260,-0.00069631,0.00003295,0.00085586,0.00463849,0.0002760
 5,-0.00028080,0.00031749,0.00007093,0.00081840,0.00038717,-0.00004163,
 0.00053151,-0.00070591,0.01716579,-0.03534442,-0.07287138,0.00008848,0
 .00001480,0.00023269,-0.00005530,0.00001351,0.00022304,0.00001424,-0.0
 0018909,0.00034585,0.00329170,-0.01071165,0.00794439,0.00032065,0.0011
 9929,-0.00676772,-0.00898548,-0.00398618,0.00490152,-0.02889367,-0.013
 73394,-0.06407067,0.04097545,0.12329846,0.16206549,-0.00097028,-0.0004
 8235,0.00011019,-0.00036817,-0.00034816,0.00024504,-0.00001437,-0.0000
 0796,-0.00030430,0.00026913,0.00026758,-0.00004544,-0.00019164,-0.0000
 2875,-0.00008911,0.01232029,-0.00817802,-0.00134421,0.00000009,0.00003
 907,0.00002674,-0.00007108,-0.00014982,0.00016061,0.00003753,0.0000836
 9,-0.00004582,-0.16203366,0.13202630,0.01917167,-0.01423617,0.02571911
 ,0.00429295,-0.00495823,-0.00202288,-0.00132254,-0.00047143,-0.0008854
 7,-0.00017841,-0.00032488,-0.00254949,-0.00101097,0.17023781,0.0005782
 0,0.00201276,0.00038829,0.00210961,-0.00119084,0.00127581,-0.00017453,
 -0.00018875,-0.00033264,-0.00003894,0.00013529,0.00008294,-0.00039265,
 -0.00026395,-0.00031304,0.01874155,-0.01894228,-0.00371594,-0.00005017
 ,0.00011997,0.00020540,-0.00021084,0.00006927,0.00041726,0.00005986,0.
 00017028,-0.00005728,0.13171917,-0.22776911,-0.03011175,-0.00419661,0.
 00712068,0.00070326,-0.00132338,0.00164256,-0.00124480,-0.00094001,-0.
 00002616,0.00002168,-0.00341984,-0.00356143,-0.00219853,-0.14358279,0.
 24087962,-0.00002751,0.00141510,-0.00039781,0.00107123,-0.00011141,-0.
 00272700,-0.00055983,-0.00062037,-0.00056680,-0.00027958,0.00022264,-0
 .00018606,0.00031422,0.00025361,0.00022323,0.00387567,-0.00540446,0.00
 316523,-0.00000402,-0.00023738,-0.00023462,0.00029132,0.00003250,-0.00
 020379,0.00001862,0.00001430,0.00000047,0.01907270,-0.02923477,-0.0419
 7755,-0.00190086,0.00243773,0.00285997,-0.00105425,-0.00139199,0.00734
 975,-0.00011898,0.00010448,-0.00062192,-0.00119227,-0.00238411,0.00578
 247,-0.02009698,0.03395128,0.03195285,-0.00001296,0.00028898,-0.000102
 19,0.00043972,-0.00163402,-0.00027565,0.00003026,-0.00004426,0.0000542
 1,-0.00051482,-0.00010819,-0.00004565,-0.00002287,-0.00001045,-0.00011
 313,-0.00585325,0.00031498,-0.00061437,-0.00003958,0.00001306,0.000059
 69,0.00000835,0.00002328,0.00004230,0.00000112,-0.00000015,0.00000555,
 -0.00737424,-0.02987356,-0.00703373,-0.09808660,-0.09238567,-0.0237038
 5,0.01145903,0.01861771,0.00452727,-0.00177968,0.00343453,0.00009677,-
 0.00104674,0.00074214,0.00011769,0.00114626,0.00039480,0.00039014,0.10
 035506,-0.00012618,0.00007505,-0.00005409,0.00036885,-0.00015979,-0.00
 006408,0.00004113,-0.00003062,0.00004886,-0.00010209,-0.00001194,0.000
 03883,-0.00007100,-0.00000649,-0.00003085,-0.00033532,0.00223752,-0.00
 118607,-0.00002465,-0.00001231,0.00003165,0.00000441,0.00001071,-0.000
 00836,0.00000871,-0.00000717,-0.00000646,0.00019322,0.00002187,-0.0004
 3494,-0.09235674,-0.28242713,-0.05809510,-0.01177614,-0.01806257,-0.00
 499064,0.00432516,-0.00181225,-0.00166057,0.00071788,0.00043500,0.0002
 9912,-0.00040853,0.00061837,0.00093427,0.10003174,0.29937874,-0.000188
 62,0.00013454,-0.00009326,0.00033116,-0.00035718,0.00019643,-0.0000274
 3,-0.00001598,0.00004533,0.00000172,-0.00001588,-0.00011380,0.00003137
 ,0.00000232,-0.00007787,-0.00120895,-0.00124815,0.00745971,-0.00002426
 ,0.00002593,0.00000014,0.00002742,0.00000710,0.00001363,-0.00000093,0.
 00001249,0.00000235,-0.00051213,-0.00227825,0.00176559,-0.02365154,-0.
 05812783,-0.04916581,-0.00185319,-0.00289264,0.00133689,0.00023409,-0.
 00173912,0.00696299,0.00008287,0.00029599,-0.00059176,0.00032462,0.000
 94685,-0.00372828,0.02612609,0.06428940,0.04041571,-0.00016566,-0.0000
 3321,-0.00007249,0.00005918,-0.00000478,0.00002020,0.00004714,0.000003
 67,0.00006469,-0.00000834,0.00000597,0.00000635,0.00000064,0.00002149,
 0.00001468,0.00066302,0.00025578,0.00020115,-0.00002097,-0.00000546,0.
 00000283,0.00000948,0.00000278,-0.00001461,0.00000572,-0.00001018,-0.0
 0000855,-0.00020313,0.00384109,0.00030860,-0.01505546,-0.00486640,-0.0
 0209236,-0.32932100,-0.03223800,-0.02591975,-0.00809943,0.00077588,-0.
 00045042,0.00134755,-0.00227821,-0.00088389,-0.00073596,-0.00032288,-0
 .00012308,0.00086819,0.00021206,0.00034350,0.35029355,0.00003023,0.000
 19048,0.00000213,-0.00005503,-0.00012295,0.00023106,-0.00002420,-0.000
 03227,-0.00003568,0.00008179,0.00010025,0.00005572,-0.00001903,0.00001
 345,-0.00000304,0.00024225,-0.00137454,-0.00008083,-0.00000692,0.00001
 515,0.00001532,-0.00002572,0.00000857,0.00003872,0.00000651,0.00000893
 ,-0.00002196,0.00289128,-0.00332467,-0.00205283,0.02564915,0.00739097,
 0.00286260,-0.03224857,-0.06263681,-0.00808653,-0.02967274,0.00123624,
 -0.00196014,-0.00134641,-0.00448132,-0.00269670,0.00119542,0.00019754,
 0.00006537,-0.00066411,0.00078999,0.00087899,0.03487922,0.06127963,-0.
 00007369,0.00019361,-0.00001585,0.00033817,0.00023002,-0.00091156,-0.0
 0002689,-0.00003714,0.00002558,-0.00000275,-0.00011682,-0.00002912,0.0
 0012469,-0.00005156,0.00002064,-0.00002608,-0.00002207,-0.00104395,0.0
 0001608,-0.00001187,-0.00005752,0.00001746,-0.00000186,-0.00001414,0.0
 0000052,0.00001869,0.00000149,0.00031583,-0.00193490,0.00719611,0.0040
 6289,0.00108904,0.00206309,-0.02578268,-0.00815710,-0.03759970,-0.0069
 5932,-0.00012215,0.00115274,-0.00072311,-0.00281212,0.00707340,0.00015
 323,-0.00003266,0.00015042,0.00017295,0.00093944,-0.00339742,0.0284141
 6,0.00996271,0.02868490,-0.00073288,0.00026415,-0.00026395,0.00040584,
 0.00124278,0.00034449,0.00005271,-0.00002574,0.00011352,-0.00002227,-0
 .00005080,-0.00004698,-0.00014724,-0.00004148,-0.00011556,-0.00536551,
 -0.00215511,-0.00122152,-0.00006227,-0.00001384,0.00006934,0.00001515,
 0.00001113,0.00000420,0.00000384,-0.00001125,0.00002530,-0.00053769,-0
 .00100179,-0.00020116,0.00013916,-0.00258541,-0.00102282,0.01122545,-0
 .01068070,-0.00170424,-0.16122901,0.13130581,0.02021168,-0.01444204,0.
 02645083,0.00476845,0.00002736,0.00008837,0.00008653,0.00035106,-0.000
 60636,-0.00011106,0.00079459,0.00049083,0.00038803,0.16843609,-0.00002
 701,0.00000802,0.00000053,-0.00028156,0.00015474,-0.00004155,-0.000026
 13,-0.00000394,-0.00002564,0.00001598,0.00000592,-0.00001380,0.0000387
 9,-0.00001878,0.00000726,-0.00122196,0.00180230,-0.00130821,0.00001857
 ,0.00000259,-0.00001440,0.00000143,-0.00000121,0.00000080,-0.00000642,
 -0.00000117,0.00001487,-0.00094429,-0.00001784,0.00011464,-0.00353883,
 -0.00345079,-0.00259635,0.01968627,-0.01774886,-0.00303813,0.13130863,
 -0.22744348,-0.03340014,-0.00379621,0.00634654,0.00076543,0.00006370,-
 0.00003753,0.00025571,0.00096536,-0.00094400,-0.00015952,-0.00037648,0
 .00085477,0.00096881,-0.14225488,0.23987984,0.00019900,-0.00004659,0.0
 0002875,-0.00007214,0.00017423,0.00014968,0.00000586,0.00002884,-0.000
 01965,-0.00000091,-0.00002665,-0.00002129,0.00000606,-0.00005921,0.000
 06003,-0.00125430,-0.00122861,0.00726986,-0.00001464,-0.00003736,-0.00
 000299,-0.00001418,-0.00001625,-0.00002092,-0.00000275,0.00001046,0.00
 001090,-0.00032440,0.00007491,-0.00086646,-0.00110612,-0.00256509,0.00
 684245,0.00486782,-0.00474833,0.00131353,0.02020310,-0.03357803,-0.040
 77962,-0.00187505,0.00261698,0.00233056,0.00010377,0.00024420,-0.00117
 245,0.00022361,-0.00028722,0.00016978,0.00021151,0.00101251,-0.0034768
 9,-0.02155767,0.03749988,0.03167300,0.00021738,-0.00072584,0.00020575,
 0.00061258,0.00201001,0.00095244,0.00004504,0.00002353,-0.00005826,-0.
 00000526,-0.00029928,-0.00031426,-0.00008927,0.00000582,-0.00005459,0.
 01064939,0.01636754,0.00395200,-0.00000130,0.00000184,0.00000128,0.000
 03525,-0.00004721,-0.00006220,0.00000432,-0.00000591,0.00004199,-0.001
 92599,0.00326671,0.00019702,-0.00093012,0.00061901,0.00002879,-0.00564
 838,0.00060407,-0.00066696,-0.00724524,-0.03007699,-0.00700651,-0.0970
 0302,-0.09007241,-0.02450321,0.00033740,0.00096109,0.00023694,0.000071
 68,-0.00009617,0.00007527,-0.00047912,-0.00140397,-0.00040951,0.001087
 65,0.00037503,0.00040142,0.10026700,0.00036751,0.00071862,0.00033875,-
 0.00282745,-0.00045350,0.00021707,-0.00013354,-0.00019560,-0.00015296,
 0.00113317,0.00099206,0.00049943,0.00025262,0.00011788,0.00012133,-0.0
 1065361,-0.01962651,-0.00575801,0.00005688,0.00001296,-0.00006021,-0.0
 0009904,0.00006846,0.00011693,0.00001921,0.00000166,-0.00009576,0.0043
 2091,-0.00207935,-0.00164492,0.00079939,0.00030720,0.00028585,-0.00043
 653,0.00232088,-0.00120859,0.00021927,-0.00009070,-0.00025046,-0.09036
 617,-0.27653045,-0.05983768,-0.00075066,-0.00098628,-0.00030249,-0.000
 10619,-0.00009297,0.00024094,0.00013766,-0.00011339,-0.00010204,-0.000
 42655,0.00061288,0.00093130,0.09849313,0.29501615,-0.00056703,0.000500
 33,-0.00005933,0.00074326,0.00124451,-0.00351634,-0.00010649,-0.000046
 80,0.00010940,0.00012670,-0.00049877,-0.00003828,0.00060161,-0.0003274
 4,0.00028282,-0.00255695,-0.00378431,0.00262911,0.00005863,0.00011534,
 -0.00022884,-0.00004305,0.00004834,-0.00002048,0.00003997,0.00010984,-
 0.00020018,0.00055313,-0.00140092,0.00594434,0.00001039,0.00028049,-0.
 00042713,-0.00100023,-0.00117053,0.00707827,-0.00041751,-0.00255042,0.
 00147045,-0.02455721,-0.05997004,-0.05053880,-0.00015104,-0.00023034,0
 .00033190,0.00007231,0.00023681,-0.00120036,-0.00002253,-0.00018743,0.
 00017778,0.00023344,0.00096982,-0.00348827,0.02698261,0.06666151,0.041
 69393\\0.00000890,-0.00000131,0.00000056,-0.00001167,0.00000985,-0.000
 00171,-0.00000284,0.00000350,-0.00000239,0.00000505,-0.00000187,0.0000
 0167,0.00000154,-0.00000137,0.00000500,0.00000477,-0.00002865,-0.00000
 757,0.00000009,-0.00000105,-0.00000172,0.00000048,-0.00000219,0.000002
 10,0.00000004,-0.00000200,0.00000194,0.00001763,0.00001833,0.00000529,
 -0.00002349,0.00001061,0.00000084,0.00000455,-0.00002510,-0.00000504,0
 .00002228,0.00001495,0.00000497,-0.00002893,0.00001046,-0.00000139,-0.
 00000258,-0.00000165,0.00000007,0.00000272,-0.00000079,0.00000191,0.00
 000044,0.00000295,-0.00000093,-0.00000187,-0.00000278,-0.00000134,0.00
 000289,-0.00000189,-0.00000227\\\@


 THE 2ND LAW OF THERMODYNAMICS HAS THE SAME
 DEGREE OF TRUTH AS THE STATEMENT THAT IF YOU THROW
 A TUMBLERFULL OF WATER INTO THE SEA, YOU CANNOT GET
 THE SAME TUMBLERFULL OF WATER OUT AGAIN.
          - J.C. MAXWELL, LETTER TO LORD RAYLEIGH, DECEMBER 6,1870
 Job cpu time:       0 days  3 hours 39 minutes  6.4 seconds.
 Elapsed time:       0 days  0 hours 27 minutes 26.7 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:13:42 2021.
